N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine

C46H30N2S — CID 166847901

IUPACN-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C46H30N2S/c1-3-12-31(13-4-1)33-15-11-18-35(28-33)47(36-24-27-45-42(29-36)40-20-9-10-21-44(40)49-45)37-23-26-39-41-25-22-32-14-7-8-19-38(32)46(41)48(43(39)30-37)34-16-5-2-6-17-34/h1-30H
InChIKeyMLHTWHAUPPCZAH-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine

N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine (PubChem CID 166847901) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
PubChem CID166847901
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C46H30N2S/c1-3-12-31(13-4-1)33-15-11-18-35(28-33)47(36-24-27-45-42(29-36)40-20-9-10-21-44(40)49-45)37-23-26-39-41-25-22-32-14-7-8-19-38(32)46(41)48(43(39)30-37)34-16-5-2-6-17-34/h1-30H
InChIKeyMLHTWHAUPPCZAH-UHFFFAOYSA-N
XLogP13.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781903
N-dibenzothiophen-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-3-amine
CID 166847791
N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781993
N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781468
4-dibenzothiophen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168781954
7-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168781883
N-(4-dibenzothiophen-1-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168781750
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781351
4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 168781565
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
CID 126718198
N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 168781643

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
The IUPAC name of N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine (CID 166847901) is N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine is c1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
The InChIKey is MLHTWHAUPPCZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-3-12-31(13-4-1)33-15-11-18-35(28-33)47(36-24-27-45-42(29-36)40-20-9-10-21-44(40)49-45)37-23-26-39-41-25-22-32-14-7-8-19-38(32)46(41)48(43(39)30-37)34-16-5-2-6-17-34/h1-30H.
What are the key properties of N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine?
N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine is sourced from PubChem (CID 166847901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).