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

C30H22N2 — CID 59827989

IUPACN-phenyl-3-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(Nc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22N2/c1-3-11-24(12-4-1)31-25-13-9-10-22(20-25)23-18-19-30-28(21-23)27-16-7-8-17-29(27)32(30)26-14-5-2-6-15-26/h1-21,31H
InChIKeyIBIWLLKLADTQCK-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.19
Rot. Bonds4

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

N-phenyl-3-(9-phenylcarbazol-3-yl)aniline (PubChem CID 59827989) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-phenyl-3-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-phenyl-3-(9-phenylcarbazol-3-yl)aniline
PubChem CID59827989
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC NameN-phenyl-3-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(Nc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22N2/c1-3-11-24(12-4-1)31-25-13-9-10-22(20-25)23-18-19-30-28(21-23)27-16-7-8-17-29(27)32(30)26-14-5-2-6-15-26/h1-21,31H
InChIKeyIBIWLLKLADTQCK-UHFFFAOYSA-N
XLogP8.19
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
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
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
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-phenyl-3-(9-phenylcarbazol-3-yl)aniline (CID 59827989) is N-phenyl-3-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-phenyl-3-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-phenyl-3-(9-phenylcarbazol-3-yl)aniline is c1ccc(Nc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-phenyl-3-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is IBIWLLKLADTQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-3-11-24(12-4-1)31-25-13-9-10-22(20-25)23-18-19-30-28(21-23)27-16-7-8-17-29(27)32(30)26-14-5-2-6-15-26/h1-21,31H.
What are the key properties of N-phenyl-3-(9-phenylcarbazol-3-yl)aniline?
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 410.52 g/mol, XLogP of 8.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 59827989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).