6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

C60H41NS — CID 164744422

IUPAC6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3sc3c(-c5ccccc5-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C60H41NS/c1-4-18-42(19-5-1)49-24-10-12-26-51(49)45-34-38-47(39-35-45)61(48-40-36-46(37-41-48)52-27-13-11-25-50(52)43-20-6-2-7-21-43)58-33-17-32-57-56-31-16-30-55(59(56)62-60(57)58)54-29-15-14-28-53(54)44-22-8-3-9-23-44/h1-41H
InChIKeyLWGOCJRSHPYKTO-UHFFFAOYSA-N
MW808.06 g/mol
LogP17.53
Rot. Bonds9

About 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 164744422) has the molecular formula C60H41NS and a molecular weight of 808.06 g/mol. Its IUPAC name is 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID164744422
Molecular FormulaC60H41NS
Molecular Weight808.06 g/mol
Exact Mass807.30
IUPAC Name6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3sc3c(-c5ccccc5-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C60H41NS/c1-4-18-42(19-5-1)49-24-10-12-26-51(49)45-34-38-47(39-35-45)61(48-40-36-46(37-41-48)52-27-13-11-25-50(52)43-20-6-2-7-21-43)58-33-17-32-57-56-31-16-30-55(59(56)62-60(57)58)54-29-15-14-28-53(54)44-22-8-3-9-23-44/h1-41H
InChIKeyLWGOCJRSHPYKTO-UHFFFAOYSA-N
XLogP17.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.06
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(4-dibenzofuran-1-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396723
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732
N-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 164744422) is 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4c3sc3c(-c5ccccc5-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is LWGOCJRSHPYKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NS/c1-4-18-42(19-5-1)49-24-10-12-26-51(49)45-34-38-47(39-35-45)61(48-40-36-46(37-41-48)52-27-13-11-25-50(52)43-20-6-2-7-21-43)58-33-17-32-57-56-31-16-30-55(59(56)62-60(57)58)54-29-15-14-28-53(54)44-22-8-3-9-23-44/h1-41H.
What are the key properties of 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 808.06 g/mol, XLogP of 17.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 164744422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).