2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine

C30H24N4 — CID 174796506

IUPAC2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(N)ccc3N)cc2)cc1
InChIInChI=1S/C30H24N4/c31-22-10-5-19(6-11-22)21-9-16-30-27(17-21)25-3-1-2-4-29(25)34(30)24-13-7-20(8-14-24)26-18-23(32)12-15-28(26)33/h1-18H,31-33H2
InChIKeyKWYWUQLEOVVZGM-UHFFFAOYSA-N
MW440.55 g/mol
LogP6.86
Rot. Bonds3

About 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine

2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine (PubChem CID 174796506) has the molecular formula C30H24N4 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
PubChem CID174796506
Molecular FormulaC30H24N4
Molecular Weight440.55 g/mol
Exact Mass440.20
IUPAC Name2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(N)ccc3N)cc2)cc1
InChIInChI=1S/C30H24N4/c31-22-10-5-19(6-11-22)21-9-16-30-27(17-21)25-3-1-2-4-29(25)34(30)24-13-7-20(8-14-24)26-18-23(32)12-15-28(26)33/h1-18H,31-33H2
InChIKeyKWYWUQLEOVVZGM-UHFFFAOYSA-N
XLogP6.86
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069500
4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
3-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90321705
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
2-deuterio-4-(9-phenylcarbazol-3-yl)aniline
CID 175956586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine?
The IUPAC name of 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine (CID 174796506) is 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine is Nc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(N)ccc3N)cc2)cc1.
What is the InChIKey of 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine?
The InChIKey is KWYWUQLEOVVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4/c31-22-10-5-19(6-11-22)21-9-16-30-27(17-21)25-3-1-2-4-29(25)34(30)24-13-7-20(8-14-24)26-18-23(32)12-15-28(26)33/h1-18H,31-33H2.
What are the key properties of 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine?
2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine has a molecular weight of 440.55 g/mol, XLogP of 6.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 174796506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).