4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline

C47H34N4 — CID 149318633

IUPAC4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)nc3cccc1c23
InChIInChI=1S/C47H34N4/c1-47(2)39-20-11-9-19-37(39)45-44-40(47)21-13-22-41(44)48-46(49-45)51-42-23-12-10-18-36(42)38-30-32(26-29-43(38)51)31-24-27-35(28-25-31)50(33-14-5-3-6-15-33)34-16-7-4-8-17-34/h3-30H,1-2H3
InChIKeyYAADHXOGUSTFFB-UHFFFAOYSA-N
MW654.82 g/mol
LogP12.17
Rot. Bonds5

About 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline

4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 149318633) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
PubChem CID149318633
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)nc3cccc1c23
InChIInChI=1S/C47H34N4/c1-47(2)39-20-11-9-19-37(39)45-44-40(47)21-13-22-41(44)48-46(49-45)51-42-23-12-10-18-36(42)38-30-32(26-29-43(38)51)31-24-27-35(28-25-31)50(33-14-5-3-6-15-33)34-16-7-4-8-17-34/h3-30H,1-2H3
InChIKeyYAADHXOGUSTFFB-UHFFFAOYSA-N
XLogP12.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[e]perimidine
CID 147523957
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 164807901
9-(7,7-dimethylbenzo[e]perimidin-2-yl)-13-phenyl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22,24,26,28-tetradecaene
CID 129299002
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
CID 142427212
7,7-dimethyl-2-[5-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]benzo[e]perimidine
CID 147745143
22-(7,7-dimethylbenzo[e]perimidin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597941
7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine
CID 163733291
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-N,N-diphenylaniline;N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 158366689
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[24-(4-phenylquinazolin-2-yl)-2,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]fluoren-4-amine
CID 142565575
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144

Frequently Asked Questions

What is the IUPAC name of 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline (CID 149318633) is 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)nc3cccc1c23.
What is the InChIKey of 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is YAADHXOGUSTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-47(2)39-20-11-9-19-37(39)45-44-40(47)21-13-22-41(44)48-46(49-45)51-42-23-12-10-18-36(42)38-30-32(26-29-43(38)51)31-24-27-35(28-25-31)50(33-14-5-3-6-15-33)34-16-7-4-8-17-34/h3-30H,1-2H3.
What are the key properties of 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline?
4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 654.82 g/mol, XLogP of 12.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 149318633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).