4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline

C32H26N2 — CID 159198427

IUPAC4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline
SMILESCc1ccc(-c2c(N)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H26N2/c1-21-11-15-23(16-12-21)31-27(33)19-20-30(32(31)24-17-13-22(2)14-18-24)34-28-9-5-3-7-25(28)26-8-4-6-10-29(26)34/h3-20H,33H2,1-2H3
InChIKeyKOYUMZOXDQZQHP-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.32
Rot. Bonds3

About 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline

4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline (PubChem CID 159198427) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline
PubChem CID159198427
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline
SMILESCc1ccc(-c2c(N)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H26N2/c1-21-11-15-23(16-12-21)31-27(33)19-20-30(32(31)24-17-13-22(2)14-18-24)34-28-9-5-3-7-25(28)26-8-4-6-10-29(26)34/h3-20H,33H2,1-2H3
InChIKeyKOYUMZOXDQZQHP-UHFFFAOYSA-N
XLogP8.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-(2,4-dimethylphenyl)-2-[9-(2,4-dimethylphenyl)carbazol-2-yl]carbazole
CID 59935132
9-[4-carbazol-9-yl-2-(4-methylphenyl)phenyl]carbazole
CID 59742176
9-[4-carbazol-9-yl-2-[4-(4-methylphenyl)phenyl]phenyl]carbazole
CID 59742203
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
2,5-di(carbazol-9-yl)-3,6-bis(4-methylphenyl)benzene-1,4-dicarbonitrile
CID 147058731
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 135130807
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline?
The IUPAC name of 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline (CID 159198427) is 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline.
What is the SMILES notation for 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline?
The canonical SMILES for 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline is Cc1ccc(-c2c(N)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline?
The InChIKey is KOYUMZOXDQZQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2/c1-21-11-15-23(16-12-21)31-27(33)19-20-30(32(31)24-17-13-22(2)14-18-24)34-28-9-5-3-7-25(28)26-8-4-6-10-29(26)34/h3-20H,33H2,1-2H3.
What are the key properties of 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline?
4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline has a molecular weight of 438.57 g/mol, XLogP of 8.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2,3-bis(4-methylphenyl)aniline is sourced from PubChem (CID 159198427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).