N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline

C41H30N2 — CID 126631257

IUPACN-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline
SMILESCn1c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c2c2c3ccccc3ccc21
InChIInChI=1S/C41H30N2/c1-42-38-18-10-17-37(40(38)41-36-16-9-8-13-31(36)23-28-39(41)42)32-21-26-35(27-22-32)43(33-14-6-3-7-15-33)34-24-19-30(20-25-34)29-11-4-2-5-12-29/h2-28H,1H3
InChIKeyMBBILHNEEJZVJY-UHFFFAOYSA-N
MW550.71 g/mol
LogP11.29
Rot. Bonds5

About N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline

N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline (PubChem CID 126631257) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline
PubChem CID126631257
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC NameN-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline
SMILESCn1c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c2c2c3ccccc3ccc21
InChIInChI=1S/C41H30N2/c1-42-38-18-10-17-37(40(38)41-36-16-9-8-13-31(36)23-28-39(41)42)32-21-26-35(27-22-32)43(33-14-6-3-7-15-33)34-24-19-30(20-25-34)29-11-4-2-5-12-29/h2-28H,1H3
InChIKeyMBBILHNEEJZVJY-UHFFFAOYSA-N
XLogP11.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 177101209
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
7-methyl-N,N-diphenylbenzo[c]carbazol-11-amine
CID 126631213
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968
N-methyl-N-phenyl-4-[7-(4-phenylphenyl)benzo[c]carbazol-11-yl]aniline
CID 126631250
4-(7-methylbenzo[g]carbazol-9-yl)-N,N-diphenylaniline
CID 126631165
3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
N-[4-(3,5-diphenylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)aniline
CID 166660549
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline (CID 126631257) is N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline is Cn1c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c2c2c3ccccc3ccc21.
What is the InChIKey of N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is MBBILHNEEJZVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-42-38-18-10-17-37(40(38)41-36-16-9-8-13-31(36)23-28-39(41)42)32-21-26-35(27-22-32)43(33-14-6-3-7-15-33)34-24-19-30(20-25-34)29-11-4-2-5-12-29/h2-28H,1H3.
What are the key properties of N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline?
N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline has a molecular weight of 550.71 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 126631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).