N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine

C52H34N2S — CID 168781643

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-36(14-4-1)42-18-9-11-21-48(42)53(41-29-32-46-45-20-10-12-22-50(45)55-51(46)34-41)40-27-23-35(24-28-40)38-26-30-44-47-31-25-37-15-7-8-19-43(37)52(47)54(49(44)33-38)39-16-5-2-6-17-39/h1-34H
InChIKeyGATBSTFOBPFTRW-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 168781643) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID168781643
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-36(14-4-1)42-18-9-11-21-48(42)53(41-29-32-46-45-20-10-12-22-50(45)55-51(46)34-41)40-27-23-35(24-28-40)38-26-30-44-47-31-25-37-15-7-8-19-43(37)52(47)54(49(44)33-38)39-16-5-2-6-17-39/h1-34H
InChIKeyGATBSTFOBPFTRW-UHFFFAOYSA-N
XLogP15.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344
7-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168781883
N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781993
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
4-dibenzothiophen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168781954
N-(4-dibenzothiophen-1-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168781750
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 168781429
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781903
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168782146
N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781468

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine (CID 168781643) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is GATBSTFOBPFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-13-36(14-4-1)42-18-9-11-21-48(42)53(41-29-32-46-45-20-10-12-22-50(45)55-51(46)34-41)40-27-23-35(24-28-40)38-26-30-44-47-31-25-37-15-7-8-19-43(37)52(47)54(49(44)33-38)39-16-5-2-6-17-39/h1-34H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 718.93 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 168781643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).