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

C64H40N2OS — CID 176607918

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3sc4ccccc4c3c2)c1
InChIInChI=1S/C64H40N2OS/c1-2-15-43-36-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(37-48)51-24-13-25-56-54-22-5-9-28-61(54)67-63(51)56)50-39-57(64-58(40-50)55-23-6-10-29-62(55)68-64)46-17-12-19-49(38-46)66-59-26-7-3-20-52(59)53-21-4-8-27-60(53)66/h1-40H
InChIKeyKQDMRPZLPKIJOP-UHFFFAOYSA-N
MW885.10 g/mol
LogP18.67
Rot. Bonds7

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

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (PubChem CID 176607918) has the molecular formula C64H40N2OS and a molecular weight of 885.10 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
PubChem CID176607918
Molecular FormulaC64H40N2OS
Molecular Weight885.10 g/mol
Exact Mass884.29
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3sc4ccccc4c3c2)c1
InChIInChI=1S/C64H40N2OS/c1-2-15-43-36-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(37-48)51-24-13-25-56-54-22-5-9-28-61(54)67-63(51)56)50-39-57(64-58(40-50)55-23-6-10-29-62(55)68-64)46-17-12-19-49(38-46)66-59-26-7-3-20-52(59)53-21-4-8-27-60(53)66/h1-40H
InChIKeyKQDMRPZLPKIJOP-UHFFFAOYSA-N
XLogP18.67
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.10
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176609501
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 157147224
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 118428329
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 158607951
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176608956
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 163731199

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (CID 176607918) is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3sc4ccccc4c3c2)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is KQDMRPZLPKIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2OS/c1-2-15-43-36-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(37-48)51-24-13-25-56-54-22-5-9-28-61(54)67-63(51)56)50-39-57(64-58(40-50)55-23-6-10-29-62(55)68-64)46-17-12-19-49(38-46)66-59-26-7-3-20-52(59)53-21-4-8-27-60(53)66/h1-40H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 885.10 g/mol, XLogP of 18.67, 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-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 176607918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).