3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole

C35H24N2 — CID 70934573

IUPAC3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H24N2/c1-4-12-25(13-5-1)32-23-28(24-33(36-32)26-14-6-2-7-15-26)27-20-21-35-31(22-27)30-18-10-11-19-34(30)37(35)29-16-8-3-9-17-29/h1-24H
InChIKeyHXUMZISSUQQNSX-UHFFFAOYSA-N
MW472.59 g/mol
LogP9.18
Rot. Bonds4

About 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole

3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole (PubChem CID 70934573) has the molecular formula C35H24N2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
PubChem CID70934573
Molecular FormulaC35H24N2
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H24N2/c1-4-12-25(13-5-1)32-23-28(24-33(36-32)26-14-6-2-7-15-26)27-20-21-35-31(22-27)30-18-10-11-19-34(30)37(35)29-16-8-3-9-17-29/h1-24H
InChIKeyHXUMZISSUQQNSX-UHFFFAOYSA-N
XLogP9.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole?
The IUPAC name of 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole (CID 70934573) is 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole?
The canonical SMILES for 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole?
The InChIKey is HXUMZISSUQQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2/c1-4-12-25(13-5-1)32-23-28(24-33(36-32)26-14-6-2-7-15-26)27-20-21-35-31(22-27)30-18-10-11-19-34(30)37(35)29-16-8-3-9-17-29/h1-24H.
What are the key properties of 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole?
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole has a molecular weight of 472.59 g/mol, XLogP of 9.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole is sourced from PubChem (CID 70934573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).