4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine

C57H42N2S — CID 176608105

IUPAC4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1cc(N(c2cc(C)c(-c3ccccc3)cc2C)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)ccc1-c1ccccc1
InChIInChI=1S/C57H42N2S/c1-37-34-44(30-31-45(37)40-16-6-4-7-17-40)59(54-36-38(2)50(35-39(54)3)41-18-8-5-9-19-41)53-33-32-46(57-56(53)49-22-12-15-25-55(49)60-57)42-26-28-43(29-27-42)58-51-23-13-10-20-47(51)48-21-11-14-24-52(48)58/h4-36H,1-3H3
InChIKeyKLNZABGGFZPVHO-UHFFFAOYSA-N
MW787.04 g/mol
LogP16.55
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine

4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 176608105) has the molecular formula C57H42N2S and a molecular weight of 787.04 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID176608105
Molecular FormulaC57H42N2S
Molecular Weight787.04 g/mol
Exact Mass786.31
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine
SMILESCc1cc(N(c2cc(C)c(-c3ccccc3)cc2C)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)ccc1-c1ccccc1
InChIInChI=1S/C57H42N2S/c1-37-34-44(30-31-45(37)40-16-6-4-7-17-40)59(54-36-38(2)50(35-39(54)3)41-18-8-5-9-19-41)53-33-32-46(57-56(53)49-22-12-15-25-55(49)60-57)42-26-28-43(29-27-42)58-51-23-13-10-20-47(51)48-21-11-14-24-52(48)58/h4-36H,1-3H3
InChIKeyKLNZABGGFZPVHO-UHFFFAOYSA-N
XLogP16.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.04
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-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-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176607775
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176609909
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176609442
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176608553
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
4-(4-carbazol-9-ylphenyl)-N-(2,4-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176608299
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine (CID 176608105) is 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine is Cc1cc(N(c2cc(C)c(-c3ccccc3)cc2C)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)ccc1-c1ccccc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is KLNZABGGFZPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2S/c1-37-34-44(30-31-45(37)40-16-6-4-7-17-40)59(54-36-38(2)50(35-39(54)3)41-18-8-5-9-19-41)53-33-32-46(57-56(53)49-22-12-15-25-55(49)60-57)42-26-28-43(29-27-42)58-51-23-13-10-20-47(51)48-21-11-14-24-52(48)58/h4-36H,1-3H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 787.04 g/mol, XLogP of 16.55, 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-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 176608105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).