N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine

C52H34N2S — CID 156520484

IUPACN-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-35(14-4-1)39-26-30-50-47(32-39)44-19-9-11-21-49(44)54(50)43-33-46(52-48(34-43)45-20-10-12-22-51(45)55-52)37-24-27-41(28-25-37)53(40-17-5-2-6-18-40)42-29-23-36-15-7-8-16-38(36)31-42/h1-34H
InChIKeyXSUCOUGIZPULKP-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine

N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine (PubChem CID 156520484) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
PubChem CID156520484
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-35(14-4-1)39-26-30-50-47(32-39)44-19-9-11-21-49(44)54(50)43-33-46(52-48(34-43)45-20-10-12-22-51(45)55-52)37-24-27-41(28-25-37)53(40-17-5-2-6-18-40)42-29-23-36-15-7-8-16-38(36)31-42/h1-34H
InChIKeyXSUCOUGIZPULKP-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

Analyze N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine 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

N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578512
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
methane;3-[9-(4-naphthalen-1-yldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-2-yldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 158321384
3,9-diphenyl-6-[9-[8-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]carbazole
CID 154591070
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 156521135
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine (CID 156520484) is N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine?
The InChIKey is XSUCOUGIZPULKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-13-35(14-4-1)39-26-30-50-47(32-39)44-19-9-11-21-49(44)54(50)43-33-46(52-48(34-43)45-20-10-12-22-51(45)55-52)37-24-27-41(28-25-37)53(40-17-5-2-6-18-40)42-29-23-36-15-7-8-16-38(36)31-42/h1-34H.
What are the key properties of N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-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-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 156520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).