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1221238-04-5 price
1.Introduction of 1221238-04-5
9-(biphenyl-4-yl)-3-(4-chloro phenyl)-6-phenyl-9H-carbazole has its CAS registry number of 1221238-04-5. Its s
1.Introduction of 1221238-04-5
9-(biphenyl-4-yl)-3-(4-chloro phenyl)-6-phenyl-9H-carbazole has its CAS registry number of 1221238-04-5. Its synonyms are 9-(biphenyl-4-yl)-3-(4-chloro phenyl)-6-phenyl-9H-carbaz ole;3-(4-chloro-phenyl)-6-phenyl-9-Biphenyl-4-yl-9H-carbazole. It is a kind of white crystal powder with purity of 99.5%. Its molecular formula is C36H24ClN. Its molecular weight is 506.03546.
2.Properties of 1221238-04-5
Molecular Weight: 506.03546 [g/mol]
Molecular Formula: C36H24ClN
XLogP3-AA: 10.5
Rotatable Bond Count: 4
Exact Mass: 505.159727
MonoIsotopic Mass: 505.159727
Topological Polar Surface Area: 4.9
Heavy Atom Count: 38
Complexity: 738
Covalently-Bonded Unit Count: 1
Feature 3D Cation Count: 1
Feature 3D Ring Count: 7
Effective Rotor Count: 4
Conformer Sampling RMSD: 0.8
CID Conformer Count: 2
3.Structure Descriptors of 1221238-04-5
(1)InChI: InChI=1S/C36H24ClN/c37-31-17-11-28(12-18-31)30-16-22-36-34(24-30)33-23-29(26-9-5-2-6-10-26)15-21-35(33)38(36)32-19-13-27(14-20-32)25-7-3-1-4-8-25/h1-24H
(2)InChIKey: HZUPWBBDOGQWPQ-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC=CC=C5)C6=C3C=CC(=C6)C7=CC=C(C=C7)Cl
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