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

C30H22N2 — CID 90321705

IUPAC3-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C30H22N2/c31-23-16-17-25(27(20-23)21-9-3-1-4-10-21)22-15-18-30-28(19-22)26-13-7-8-14-29(26)32(30)24-11-5-2-6-12-24/h1-20H,31H2
InChIKeyGIMQWFKGFXIVON-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.70
Rot. Bonds3

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

3-phenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 90321705) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound Name3-phenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID90321705
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name3-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C30H22N2/c31-23-16-17-25(27(20-23)21-9-3-1-4-10-21)22-15-18-30-28(19-22)26-13-7-8-14-29(26)32(30)24-11-5-2-6-12-24/h1-20H,31H2
InChIKeyGIMQWFKGFXIVON-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

3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069500
2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 174796506
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 90321705) is 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline is Nc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is GIMQWFKGFXIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c31-23-16-17-25(27(20-23)21-9-3-1-4-10-21)22-15-18-30-28(19-22)26-13-7-8-14-29(26)32(30)24-11-5-2-6-12-24/h1-20H,31H2.
What are the key properties of 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
3-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 3-phenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 90321705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).