N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

C48H33NS — CID 168791054

IUPACN-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2-c2ccccc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C48H33NS/c1-4-18-34(19-5-1)37-24-10-11-26-40(37)47-39(36-22-8-3-9-23-36)28-16-30-43(47)49(42-29-14-12-25-38(42)35-20-6-2-7-21-35)44-31-17-33-46-48(44)41-27-13-15-32-45(41)50-46/h1-33H
InChIKeyXNRVBQDKXJUETH-UHFFFAOYSA-N
MW655.87 g/mol
LogP14.19
Rot. Bonds7

About N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 168791054) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID168791054
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2-c2ccccc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C48H33NS/c1-4-18-34(19-5-1)37-24-10-11-26-40(37)47-39(36-22-8-3-9-23-36)28-16-30-43(47)49(42-29-14-12-25-38(42)35-20-6-2-7-21-35)44-31-17-33-46-48(44)41-27-13-15-32-45(41)50-46/h1-33H
InChIKeyXNRVBQDKXJUETH-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168790141
N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168788625
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789332
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789864
N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170301225
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434642

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 168791054) is N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2-c2ccccc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is XNRVBQDKXJUETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-4-18-34(19-5-1)37-24-10-11-26-40(37)47-39(36-22-8-3-9-23-36)28-16-30-43(47)49(42-29-14-12-25-38(42)35-20-6-2-7-21-35)44-31-17-33-46-48(44)41-27-13-15-32-45(41)50-46/h1-33H.
What are the key properties of N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine has a molecular weight of 655.87 g/mol, XLogP of 14.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168791054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).