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

C64H40N2OS — CID 176609501

IUPAC4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4oc5ccccc5c34)cc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H40N2OS/c1-2-16-43-37-44(32-31-41(43)15-1)42-33-35-46(36-34-42)65(57-25-8-5-21-51(57)53-24-14-29-61-63(53)54-23-6-11-28-60(54)67-61)48-39-55(64-56(40-48)52-22-7-12-30-62(52)68-64)45-17-13-18-47(38-45)66-58-26-9-3-19-49(58)50-20-4-10-27-59(50)66/h1-40H
InChIKeyQTBMBNIFZWTXLE-UHFFFAOYSA-N
MW885.10 g/mol
LogP18.67
Rot. Bonds7

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

4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (PubChem CID 176609501) has the molecular formula C64H40N2OS and a molecular weight of 885.10 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
PubChem CID176609501
Molecular FormulaC64H40N2OS
Molecular Weight885.10 g/mol
Exact Mass884.29
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
SMILESc1cc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4oc5ccccc5c34)cc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H40N2OS/c1-2-16-43-37-44(32-31-41(43)15-1)42-33-35-46(36-34-42)65(57-25-8-5-21-51(57)53-24-14-29-61-63(53)54-23-6-11-28-60(54)67-61)48-39-55(64-56(40-48)52-22-7-12-30-62(52)68-64)45-17-13-18-47(38-45)66-58-26-9-3-19-49(58)50-20-4-10-27-59(50)66/h1-40H
InChIKeyQTBMBNIFZWTXLE-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-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176607918
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 146719839
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 155398735
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398770
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 158468213
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398542
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine (CID 176609501) is 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is c1cc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4oc5ccccc5c34)cc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is QTBMBNIFZWTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2OS/c1-2-16-43-37-44(32-31-41(43)15-1)42-33-35-46(36-34-42)65(57-25-8-5-21-51(57)53-24-14-29-61-63(53)54-23-6-11-28-60(54)67-61)48-39-55(64-56(40-48)52-22-7-12-30-62(52)68-64)45-17-13-18-47(38-45)66-58-26-9-3-19-49(58)50-20-4-10-27-59(50)66/h1-40H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine?
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-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-(2-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 176609501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).