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

C60H38N2OS — CID 176608780

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H38N2OS/c1-2-15-39(16-3-1)40-31-33-43(34-32-40)61(44-19-12-17-41(35-44)47-25-14-26-52-50-23-6-10-29-57(50)63-59(47)52)46-37-53(60-54(38-46)51-24-7-11-30-58(51)64-60)42-18-13-20-45(36-42)62-55-27-8-4-21-48(55)49-22-5-9-28-56(49)62/h1-38H
InChIKeyYGHGLTDCLLJJHB-UHFFFAOYSA-N
MW835.04 g/mol
LogP17.52
Rot. Bonds7

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

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 176608780) 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-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID176608780
Molecular FormulaC60H38N2OS
Molecular Weight835.04 g/mol
Exact Mass834.27
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H38N2OS/c1-2-15-39(16-3-1)40-31-33-43(34-32-40)61(44-19-12-17-41(35-44)47-25-14-26-52-50-23-6-10-29-57(50)63-59(47)52)46-37-53(60-54(38-46)51-24-7-11-30-58(51)64-60)42-18-13-20-45(36-42)62-55-27-8-4-21-48(55)49-22-5-9-28-56(49)62/h1-38H
InChIKeyYGHGLTDCLLJJHB-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-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176607918
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-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 162241210
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 157185893
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
4-(3-carbazol-9-ylphenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 159240665
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine
CID 160725361
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073634

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 176608780) is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is YGHGLTDCLLJJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2OS/c1-2-15-39(16-3-1)40-31-33-43(34-32-40)61(44-19-12-17-41(35-44)47-25-14-26-52-50-23-6-10-29-57(50)63-59(47)52)46-37-53(60-54(38-46)51-24-7-11-30-58(51)64-60)42-18-13-20-45(36-42)62-55-27-8-4-21-48(55)49-22-5-9-28-56(49)62/h1-38H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-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-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 176608780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).