N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline

C35H26N2 — CID 126631057

IUPACN-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline
SMILESCN(c1ccccc1)c1ccc(-c2cccc3c4cc5ccccc5cc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C35H26N2/c1-36(28-13-4-2-5-14-28)29-21-19-25(20-22-29)31-17-10-18-32-33-23-26-11-8-9-12-27(26)24-34(33)37(35(31)32)30-15-6-3-7-16-30/h2-24H,1H3
InChIKeyASZTYTORPCSUDT-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.37
Rot. Bonds4

About N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline

N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline (PubChem CID 126631057) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline
PubChem CID126631057
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC NameN-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline
SMILESCN(c1ccccc1)c1ccc(-c2cccc3c4cc5ccccc5cc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C35H26N2/c1-36(28-13-4-2-5-14-28)29-21-19-25(20-22-29)31-17-10-18-32-33-23-26-11-8-9-12-27(26)24-34(33)37(35(31)32)30-15-6-3-7-16-30/h2-24H,1H3
InChIKeyASZTYTORPCSUDT-UHFFFAOYSA-N
XLogP9.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
CID 126631328
5-phenyl-4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]benzo[b]carbazole
CID 170040861
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165036325
4-benzo[a]carbazol-11-yl-N-methyl-N-phenylaniline;N-methyl-N,11-diphenylbenzo[a]carbazol-8-amine;N-methyl-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 162064475
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
CID 70877185
N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
CID 126632612
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788792
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline?
The IUPAC name of N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline (CID 126631057) is N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline.
What is the SMILES notation for N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline?
The canonical SMILES for N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline is CN(c1ccccc1)c1ccc(-c2cccc3c4cc5ccccc5cc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline?
The InChIKey is ASZTYTORPCSUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-36(28-13-4-2-5-14-28)29-21-19-25(20-22-29)31-17-10-18-32-33-23-26-11-8-9-12-27(26)24-34(33)37(35(31)32)30-15-6-3-7-16-30/h2-24H,1H3.
What are the key properties of N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline?
N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline has a molecular weight of 474.61 g/mol, XLogP of 9.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline is sourced from PubChem (CID 126631057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).