1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole

C31H23N — CID 146397378

IUPAC1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C31H23N/c1-22-10-5-6-13-26(22)23-18-20-24(21-19-23)27-15-9-16-29-28-14-7-8-17-30(28)32(31(27)29)25-11-3-2-4-12-25/h2-21H,1H3
InChIKeyACUAXKCSTZCMJW-UHFFFAOYSA-N
MW409.53 g/mol
LogP8.43
Rot. Bonds3

About 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole

1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole (PubChem CID 146397378) has the molecular formula C31H23N and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
PubChem CID146397378
Molecular FormulaC31H23N
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC Name1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C31H23N/c1-22-10-5-6-13-26(22)23-18-20-24(21-19-23)27-15-9-16-29-28-14-7-8-17-30(28)32(31(27)29)25-11-3-2-4-12-25/h2-21H,1H3
InChIKeyACUAXKCSTZCMJW-UHFFFAOYSA-N
XLogP8.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
9-phenyl-1-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]carbazole
CID 170046255
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole (CID 146397378) is 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole is Cc1ccccc1-c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
The InChIKey is ACUAXKCSTZCMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N/c1-22-10-5-6-13-26(22)23-18-20-24(21-19-23)27-15-9-16-29-28-14-7-8-17-30(28)32(31(27)29)25-11-3-2-4-12-25/h2-21H,1H3.
What are the key properties of 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole?
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole has a molecular weight of 409.53 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146397378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).