N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline

C36H26N2 — CID 148771233

IUPACN-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C36H26N2/c1-3-13-26(14-4-1)29-17-8-11-21-35(29)38(28-15-5-2-6-16-28)36-22-12-9-18-30(36)27-23-24-34-32(25-27)31-19-7-10-20-33(31)37-34/h1-25,37H
InChIKeyOILGYNGWQIFEAW-UHFFFAOYSA-N
MW486.62 g/mol
LogP10.12
Rot. Bonds5

About N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline

N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline (PubChem CID 148771233) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound NameN-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
PubChem CID148771233
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC NameN-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C36H26N2/c1-3-13-26(14-4-1)29-17-8-11-21-35(29)38(28-15-5-2-6-16-28)36-22-12-9-18-30(36)27-23-24-34-32(25-27)31-19-7-10-20-33(31)37-34/h1-25,37H
InChIKeyOILGYNGWQIFEAW-UHFFFAOYSA-N
XLogP10.12
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,3-diphenyl-9H-carbazol-1-yl)phenyl]-N,2-diphenylaniline
CID 166134777
N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline
CID 166133960
6-tert-butyl-N-phenyl-N-(2-phenylphenyl)-9H-carbazol-3-amine
CID 58827483
2-(9H-carbazol-2-yl)-N-methyl-N-phenylaniline
CID 137483229
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000

Frequently Asked Questions

What is the IUPAC name of N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline?
The IUPAC name of N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline (CID 148771233) is N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline.
What is the SMILES notation for N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline?
The canonical SMILES for N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline?
The InChIKey is OILGYNGWQIFEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-13-26(14-4-1)29-17-8-11-21-35(29)38(28-15-5-2-6-16-28)36-22-12-9-18-30(36)27-23-24-34-32(25-27)31-19-7-10-20-33(31)37-34/h1-25,37H.
What are the key properties of N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline?
N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline has a molecular weight of 486.62 g/mol, XLogP of 10.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 148771233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).