4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine

C54H36N2S — CID 176609909

IUPAC4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5sc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C54H36N2S/c1-3-16-37(17-4-1)38-18-13-19-39(34-38)40-20-14-24-43(35-40)55(42-22-5-2-6-23-42)51-33-32-45(54-53(51)48-28-9-12-31-52(48)57-54)41-21-15-25-44(36-41)56-49-29-10-7-26-46(49)47-27-8-11-30-50(47)56/h1-36H
InChIKeyZTCWDMAEZZKOAI-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine

4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 176609909) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID176609909
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5sc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C54H36N2S/c1-3-16-37(17-4-1)38-18-13-19-39(34-38)40-20-14-24-43(35-40)55(42-22-5-2-6-23-42)51-33-32-45(54-53(51)48-28-9-12-31-52(48)57-54)41-21-15-25-44(36-41)56-49-29-10-7-26-46(49)47-27-8-11-30-50(47)56/h1-36H
InChIKeyZTCWDMAEZZKOAI-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176607775
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
CID 176609982
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 156664554
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176608704
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
CID 129178975

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 176609909) is 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5sc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is ZTCWDMAEZZKOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-16-37(17-4-1)38-18-13-19-39(34-38)40-20-14-24-43(35-40)55(42-22-5-2-6-23-42)51-33-32-45(54-53(51)48-28-9-12-31-52(48)57-54)41-21-15-25-44(36-41)56-49-29-10-7-26-46(49)47-27-8-11-30-50(47)56/h1-36H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine?
4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 176609909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).