4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C60H38N2OS — CID 176608773

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H38N2OS/c1-2-14-39(15-3-1)40-28-31-44(32-29-40)61(45-18-12-16-41(36-45)42-30-35-58-52(38-42)50-22-7-11-27-57(50)64-58)55-34-33-47(60-59(55)51-23-6-10-26-56(51)63-60)43-17-13-19-46(37-43)62-53-24-8-4-20-48(53)49-21-5-9-25-54(49)62/h1-38H
InChIKeyDLOBTHNYRZMDMO-UHFFFAOYSA-N
MW835.04 g/mol
LogP17.52
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176608773) has the molecular formula C60H38N2OS and a molecular weight of 835.04 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176608773
Molecular FormulaC60H38N2OS
Molecular Weight835.04 g/mol
Exact Mass834.27
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H38N2OS/c1-2-14-39(15-3-1)40-28-31-44(32-29-40)61(45-18-12-16-41(36-45)42-30-35-58-52(38-42)50-22-7-11-27-57(50)64-58)55-34-33-47(60-59(55)51-23-6-10-26-56(51)63-60)43-17-13-19-46(37-43)62-53-24-8-4-20-48(53)49-21-5-9-25-54(49)62/h1-38H
InChIKeyDLOBTHNYRZMDMO-UHFFFAOYSA-N
XLogP17.52
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.04
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608292
4-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176607823
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-1-yl-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 176608909
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168804753
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738145

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 176608773) is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is DLOBTHNYRZMDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2OS/c1-2-14-39(15-3-1)40-28-31-44(32-29-40)61(45-18-12-16-41(36-45)42-30-35-58-52(38-42)50-22-7-11-27-57(50)64-58)55-34-33-47(60-59(55)51-23-6-10-26-56(51)63-60)43-17-13-19-46(37-43)62-53-24-8-4-20-48(53)49-21-5-9-25-54(49)62/h1-38H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 835.04 g/mol, XLogP of 17.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176608773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).