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

C30H21NS — CID 177286416

IUPACN-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C30H21NS/c1-2-9-21(10-3-1)24-11-4-5-12-25(24)22-17-19-23(20-18-22)31-28-15-8-14-27-26-13-6-7-16-29(26)32-30(27)28/h1-20,31H
InChIKeyAKCKGNDQWQFQDO-UHFFFAOYSA-N
MW427.57 g/mol
LogP9.13
Rot. Bonds4

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

N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 177286416) has the molecular formula C30H21NS and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID177286416
Molecular FormulaC30H21NS
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC NameN-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C30H21NS/c1-2-9-21(10-3-1)24-11-4-5-12-25(24)22-17-19-23(20-18-22)31-28-15-8-14-27-26-13-6-7-16-29(26)32-30(27)28/h1-20,31H
InChIKeyAKCKGNDQWQFQDO-UHFFFAOYSA-N
XLogP9.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343304
N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 175616007
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-(4-cyclohexylphenyl)dibenzothiophen-4-amine
CID 137416999
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
N-pyren-1-yldibenzothiophen-4-amine
CID 137457081

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 177286416) is N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is AKCKGNDQWQFQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS/c1-2-9-21(10-3-1)24-11-4-5-12-25(24)22-17-19-23(20-18-22)31-28-15-8-14-27-26-13-6-7-16-29(26)32-30(27)28/h1-20,31H.
What are the key properties of N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 427.57 g/mol, XLogP of 9.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 177286416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).