N-(3-carbazol-9-ylphenyl)-2-phenylaniline

C30H22N2 — CID 70950994

IUPACN-(3-carbazol-9-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C30H22N2/c1-2-11-22(12-3-1)25-15-4-7-18-28(25)31-23-13-10-14-24(21-23)32-29-19-8-5-16-26(29)27-17-6-9-20-30(27)32/h1-21,31H
InChIKeyRJHWYQHAJNFQCM-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.19
Rot. Bonds4

About N-(3-carbazol-9-ylphenyl)-2-phenylaniline

N-(3-carbazol-9-ylphenyl)-2-phenylaniline (PubChem CID 70950994) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-2-phenylaniline
PubChem CID70950994
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC NameN-(3-carbazol-9-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C30H22N2/c1-2-11-22(12-3-1)25-15-4-7-18-28(25)31-23-13-10-14-24(21-23)32-29-19-8-5-16-26(29)27-17-6-9-20-30(27)32/h1-21,31H
InChIKeyRJHWYQHAJNFQCM-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

2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
9-[2-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169288929
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
9-naphthalen-2-yl-N-(2-phenylphenyl)carbazol-1-amine
CID 176762124
N-(4-phenylphenyl)-9-[3-(2-phenylsulfanylanilino)phenyl]carbazol-2-amine
CID 130250062
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028754

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-2-phenylaniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-2-phenylaniline (CID 70950994) is N-(3-carbazol-9-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2Nc2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-2-phenylaniline?
The InChIKey is RJHWYQHAJNFQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-2-11-22(12-3-1)25-15-4-7-18-28(25)31-23-13-10-14-24(21-23)32-29-19-8-5-16-26(29)27-17-6-9-20-30(27)32/h1-21,31H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-2-phenylaniline?
N-(3-carbazol-9-ylphenyl)-2-phenylaniline 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-(3-carbazol-9-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 70950994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).