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

C61H42N2S — CID 176607775

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3sc4ccccc4c23)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C61H42N2S/c1-41-38-49(40-54(44-20-7-3-8-21-44)59(41)45-22-9-4-10-23-45)62(47-34-32-43(33-35-47)42-18-5-2-6-19-42)57-37-36-50(61-60(57)53-28-13-16-31-58(53)64-61)46-24-17-25-48(39-46)63-55-29-14-11-26-51(55)52-27-12-15-30-56(52)63/h2-40H,1H3
InChIKeyWJAOQIYFZNITLS-UHFFFAOYSA-N
MW835.09 g/mol
LogP17.60
Rot. Bonds8

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

4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 176607775) has the molecular formula C61H42N2S and a molecular weight of 835.09 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID176607775
Molecular FormulaC61H42N2S
Molecular Weight835.09 g/mol
Exact Mass834.31
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3sc4ccccc4c23)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C61H42N2S/c1-41-38-49(40-54(44-20-7-3-8-21-44)59(41)45-22-9-4-10-23-45)62(47-34-32-43(33-35-47)42-18-5-2-6-19-42)57-37-36-50(61-60(57)53-28-13-16-31-58(53)64-61)46-24-17-25-48(39-46)63-55-29-14-11-26-51(55)52-27-12-15-30-56(52)63/h2-40H,1H3
InChIKeyWJAOQIYFZNITLS-UHFFFAOYSA-N
XLogP17.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.09
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine with MolForge

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176608704
4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176609909
4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine
CID 176608105
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
CID 176609982
4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
CID 176609226
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 176607775) is 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3sc4ccccc4c23)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is WJAOQIYFZNITLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2S/c1-41-38-49(40-54(44-20-7-3-8-21-44)59(41)45-22-9-4-10-23-45)62(47-34-32-43(33-35-47)42-18-5-2-6-19-42)57-37-36-50(61-60(57)53-28-13-16-31-58(53)64-61)46-24-17-25-48(39-46)63-55-29-14-11-26-51(55)52-27-12-15-30-56(52)63/h2-40H,1H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 835.09 g/mol, XLogP of 17.60, 8 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-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 176607775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).