2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole

C37H26N2 — CID 135248578

IUPAC2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1
InChIInChI=1S/C37H26N2/c1-25-15-19-29(20-16-25)38-35-14-8-6-12-31(35)33-23-26(18-22-36(33)38)27-17-21-32-30-11-5-7-13-34(30)39(37(32)24-27)28-9-3-2-4-10-28/h2-24H,1H3
InChIKeyZPWFUKFNWFHJOF-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.86
Rot. Bonds3

About 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole

2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 135248578) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID135248578
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1
InChIInChI=1S/C37H26N2/c1-25-15-19-29(20-16-25)38-35-14-8-6-12-31(35)33-23-26(18-22-36(33)38)27-17-21-32-30-11-5-7-13-34(30)39(37(32)24-27)28-9-3-2-4-10-28/h2-24H,1H3
InChIKeyZPWFUKFNWFHJOF-UHFFFAOYSA-N
XLogP9.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole (CID 135248578) is 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1.
What is the InChIKey of 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is ZPWFUKFNWFHJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-25-15-19-29(20-16-25)38-35-14-8-6-12-31(35)33-23-26(18-22-36(33)38)27-17-21-32-30-11-5-7-13-34(30)39(37(32)24-27)28-9-3-2-4-10-28/h2-24H,1H3.
What are the key properties of 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole?
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 498.63 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 135248578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).