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

C93H70N6 — CID 162064475

IUPAC4-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
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccccc1.CN(c1ccccc1)c1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccccc1
InChIInChI=1S/C35H26N2.2C29H22N2/c1-36(28-19-16-26(17-20-28)25-10-4-2-5-11-25)30-21-23-34-33(24-30)32-22-18-27-12-8-9-15-31(27)35(32)37(34)29-13-6-3-7-14-29;1-30(22-11-4-2-5-12-22)24-17-19-28-27(20-24)26-18-16-21-10-8-9-15-25(21)29(26)31(28)23-13-6-3-7-14-23;1-30(22-10-3-2-4-11-22)23-16-18-24(19-17-23)31-28-14-8-7-13-26(28)27-20-15-21-9-5-6-12-25(21)29(27)31/h2-24H,1H3;2*2-20H,1H3
InChIKeyZAGTVETYPPJWST-UHFFFAOYSA-N
MW1271.63 g/mol
LogP24.78
Rot. Bonds10

About 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

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 (PubChem CID 162064475) has the molecular formula C93H70N6 and a molecular weight of 1271.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID162064475
Molecular FormulaC93H70N6
Molecular Weight1271.63 g/mol
Exact Mass1270.57
IUPAC Name4-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
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccccc1.CN(c1ccccc1)c1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccccc1
InChIInChI=1S/C35H26N2.2C29H22N2/c1-36(28-19-16-26(17-20-28)25-10-4-2-5-11-25)30-21-23-34-33(24-30)32-22-18-27-12-8-9-15-31(27)35(32)37(34)29-13-6-3-7-14-29;1-30(22-11-4-2-5-12-22)24-17-19-28-27(20-24)26-18-16-21-10-8-9-15-25(21)29(26)31(28)23-13-6-3-7-14-23;1-30(22-10-3-2-4-11-22)23-16-18-24(19-17-23)31-28-14-8-7-13-26(28)27-20-15-21-9-5-6-12-25(21)29(27)31/h2-24H,1H3;2*2-20H,1H3
InChIKeyZAGTVETYPPJWST-UHFFFAOYSA-N
XLogP24.78
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.63
LogP ≤ 524.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 154589094
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
14-phenyl-3-(4-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 154589079
4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(5,8-diphenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 161328307
N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine;N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine;N,N,11-triphenylbenzo[a]carbazol-10-amine
CID 164979626
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
9-phenyl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 174363945
N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]aniline
CID 126631214
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccccc1.CN(c1ccccc1)c1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is ZAGTVETYPPJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2.2C29H22N2/c1-36(28-19-16-26(17-20-28)25-10-4-2-5-11-25)30-21-23-34-33(24-30)32-22-18-27-12-8-9-15-31(27)35(32)37(34)29-13-6-3-7-14-29;1-30(22-11-4-2-5-12-22)24-17-19-28-27(20-24)26-18-16-21-10-8-9-15-25(21)29(26)31(28)23-13-6-3-7-14-23;1-30(22-10-3-2-4-11-22)23-16-18-24(19-17-23)31-28-14-8-7-13-26(28)27-20-15-21-9-5-6-12-25(21)29(27)31/h2-24H,1H3;2*2-20H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1271.63 g/mol, XLogP of 24.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162064475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).