4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

C56H40N2S — CID 176608704

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)cc(C)c1-c1ccccc1
InChIInChI=1S/C56H40N2S/c1-37-35-45(36-38(2)54(37)42-17-7-4-8-18-42)57(43-29-25-40(26-30-43)39-15-5-3-6-16-39)52-34-33-46(56-55(52)49-21-11-14-24-53(49)59-56)41-27-31-44(32-28-41)58-50-22-12-9-19-47(50)48-20-10-13-23-51(48)58/h3-36H,1-2H3
InChIKeyPRQVNNPJQZWHCD-UHFFFAOYSA-N
MW773.02 g/mol
LogP16.24
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 176608704) has the molecular formula C56H40N2S and a molecular weight of 773.02 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID176608704
Molecular FormulaC56H40N2S
Molecular Weight773.02 g/mol
Exact Mass772.29
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)cc(C)c1-c1ccccc1
InChIInChI=1S/C56H40N2S/c1-37-35-45(36-38(2)54(37)42-17-7-4-8-18-42)57(43-29-25-40(26-30-43)39-15-5-3-6-16-39)52-34-33-46(56-55(52)49-21-11-14-24-53(49)59-56)41-27-31-44(32-28-41)58-50-22-12-9-19-47(50)48-20-10-13-23-51(48)58/h3-36H,1-2H3
InChIKeyPRQVNNPJQZWHCD-UHFFFAOYSA-N
XLogP16.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.02
LogP ≤ 516.24
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
4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine
CID 176608105
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176609909
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176608553
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578520

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 176608704) is 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)cc(C)c1-c1ccccc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is PRQVNNPJQZWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2S/c1-37-35-45(36-38(2)54(37)42-17-7-4-8-18-42)57(43-29-25-40(26-30-43)39-15-5-3-6-16-39)52-34-33-46(56-55(52)49-21-11-14-24-53(49)59-56)41-27-31-44(32-28-41)58-50-22-12-9-19-47(50)48-20-10-13-23-51(48)58/h3-36H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 773.02 g/mol, XLogP of 16.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 176608704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).