N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline

C40H28N2 — CID 134552399

IUPACN,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
SMILESc1ccc(-c2c3ccccc3cc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C40H28N2/c1-4-14-29(15-5-1)39-35-21-11-10-16-30(35)28-37-36-22-12-13-23-38(36)42(40(37)39)34-26-24-33(25-27-34)41(31-17-6-2-7-18-31)32-19-8-3-9-20-32/h1-28H
InChIKeyBWAHOUVHQVOROI-UHFFFAOYSA-N
MW536.68 g/mol
LogP11.07
Rot. Bonds5

About N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline

N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline (PubChem CID 134552399) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
PubChem CID134552399
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC NameN,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
SMILESc1ccc(-c2c3ccccc3cc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C40H28N2/c1-4-14-29(15-5-1)39-35-21-11-10-16-30(35)28-37-36-22-12-13-23-38(36)42(40(37)39)34-26-24-33(25-27-34)41(31-17-6-2-7-18-31)32-19-8-3-9-20-32/h1-28H
InChIKeyBWAHOUVHQVOROI-UHFFFAOYSA-N
XLogP11.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
9,9-dimethyl-N-phenyl-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]fluoren-2-amine
CID 134552429
6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552606
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline (CID 134552399) is N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline is c1ccc(-c2c3ccccc3cc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c23)cc1.
What is the InChIKey of N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline?
The InChIKey is BWAHOUVHQVOROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-4-14-29(15-5-1)39-35-21-11-10-16-30(35)28-37-36-22-12-13-23-38(36)42(40(37)39)34-26-24-33(25-27-34)41(31-17-6-2-7-18-31)32-19-8-3-9-20-32/h1-28H.
What are the key properties of N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline?
N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline has a molecular weight of 536.68 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline is sourced from PubChem (CID 134552399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).