9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole

C42H30N2 — CID 156557997

IUPAC9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
SMILESC1=CC2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3N(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C42H30N2/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-39-17-9-7-15-35(39)37-25-21-32(28-42(37)44)31-22-26-41-38(27-31)36-16-8-10-18-40(36)43(41)33-13-5-2-6-14-33/h1-28,35,39H
InChIKeyGQIRXJHGGQSLHO-UHFFFAOYSA-N
MW562.72 g/mol
LogP10.85
Rot. Bonds4

About 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole

9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole (PubChem CID 156557997) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
PubChem CID156557997
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
SMILESC1=CC2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3N(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C42H30N2/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-39-17-9-7-15-35(39)37-25-21-32(28-42(37)44)31-22-26-41-38(27-31)36-16-8-10-18-40(36)43(41)33-13-5-2-6-14-33/h1-28,35,39H
InChIKeyGQIRXJHGGQSLHO-UHFFFAOYSA-N
XLogP10.85
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole (CID 156557997) is 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole is C1=CC2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3N(c3ccc(-c4ccccc4)cc3)C2C=C1.
What is the InChIKey of 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole?
The InChIKey is GQIRXJHGGQSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-39-17-9-7-15-35(39)37-25-21-32(28-42(37)44)31-22-26-41-38(27-31)36-16-8-10-18-40(36)43(41)33-13-5-2-6-14-33/h1-28,35,39H.
What are the key properties of 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole?
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole has a molecular weight of 562.72 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole is sourced from PubChem (CID 156557997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).