Molecular structure of Pigment Yellow 148 (CAS NO.20572-37-6) is:
Product Name: Pigment Yellow 148
CAS Registry Number: 20572-37-6
IUPAC Name: (1Z)-1-[(4E)-4-(2-oxonaphthalen-1-ylidene)-6-pyren-2-yl-1H-1,3,5-triazin-2-ylidene]naphthalen-2-one
Molecular Weight: 565.61882 [g/mol]
Molecular Formula: C39H23N3O2
XLogP3-AA: 8
H-Bond Donor: 2
H-Bond Acceptor: 5
EINECS: 243-889-2
Index of Refraction: 1.85
Molar Refractivity: 179.96 cm3
Molar Volume: 402.5 cm3
Surface Tension: 76.3 dyne/cm
Density: 1.404 g/cm3
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=C3NC(=C4C(=O)C=CC5=CC=CC=C54)N=C(N3)C6=CC7=C8C(=C6)C=CC9=C8C(=CC=C9)C=C7
Isomeric SMILES: C1=CC=C\2C(=C1)C=CC(=O)/C2=C\3/N/C(=C/4\C(=O)C=CC5=CC=CC=C54)/N=C(N3)C6=CC7=C8C(=C6)C=CC9=C8C(=CC=C9)C=C7
InChI: InChI=1S/C39H23N3O2/c43-31-18-16-22-6-1-3-10-29(22)35(31)38-40-37(41-39(42-38)36-30-11-4-2-7-23(30)17-19-32(36)44)28-20-26-14-12-24-8-5-9-25-13-15-27(21-28)34(26)33(24)25/h1-21,42H,(H,40,41)/b38-35-,39-36+
InChIKey: NPSKBEDWZAOHQF-GSPHSSQTSA-N
Pigment Yellow 148 , its cas register number is 20572-37-6. It also can be called 1,1'-(6-(Pyren-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-naphthol) .
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