N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine

C52H34N2S — CID 166847673

IUPACN-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-14-35(15-4-1)36-16-11-20-39(32-36)53(41-28-31-51-47(34-41)44-22-8-10-27-50(44)55-51)40-21-12-17-37(33-40)42-24-13-25-45-43(42)29-30-49-52(45)46-23-7-9-26-48(46)54(49)38-18-5-2-6-19-38/h1-34H
InChIKeyBBQIKEIMWRZFHN-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine

N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 166847673) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
PubChem CID166847673
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-14-35(15-4-1)36-16-11-20-39(32-36)53(41-28-31-51-47(34-41)44-22-8-10-27-50(44)55-51)40-21-12-17-37(33-40)42-24-13-25-45-43(42)29-30-49-52(45)46-23-7-9-26-48(46)54(49)38-18-5-2-6-19-38/h1-34H
InChIKeyBBQIKEIMWRZFHN-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-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-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-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196056
N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009594
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine
CID 159867112
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 166847694
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine (CID 166847673) is N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c3ccc4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is BBQIKEIMWRZFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-14-35(15-4-1)36-16-11-20-39(32-36)53(41-28-31-51-47(34-41)44-22-8-10-27-50(44)55-51)40-21-12-17-37(33-40)42-24-13-25-45-43(42)29-30-49-52(45)46-23-7-9-26-48(46)54(49)38-18-5-2-6-19-38/h1-34H.
What are the key properties of N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine?
N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-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-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 166847673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).