2-phenyl-4-(9-phenylcarbazol-3-yl)aniline

C30H22N2 — CID 90069500

IUPAC2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C30H22N2/c31-28-17-15-22(19-26(28)21-9-3-1-4-10-21)23-16-18-30-27(20-23)25-13-7-8-14-29(25)32(30)24-11-5-2-6-12-24/h1-20H,31H2
InChIKeyUVWGLGRGONIELQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.70
Rot. Bonds3

About 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline

2-phenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 90069500) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound Name2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID90069500
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C30H22N2/c31-28-17-15-22(19-26(28)21-9-3-1-4-10-21)23-16-18-30-27(20-23)25-13-7-8-14-29(25)32(30)24-11-5-2-6-12-24/h1-20H,31H2
InChIKeyUVWGLGRGONIELQ-UHFFFAOYSA-N
XLogP7.70
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.70
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

4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 174796506
3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
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
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 90069500) is 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline is Nc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is UVWGLGRGONIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c31-28-17-15-22(19-26(28)21-9-3-1-4-10-21)23-16-18-30-27(20-23)25-13-7-8-14-29(25)32(30)24-11-5-2-6-12-24/h1-20H,31H2.
What are the key properties of 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
2-phenyl-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 410.52 g/mol, XLogP of 7.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 90069500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).