N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

C48H33NS — CID 121261333

IUPACN-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H33NS/c1-3-11-34(12-4-1)36-21-26-42(27-22-36)49(44-18-10-17-40(32-44)35-13-5-2-6-14-35)43-28-23-37(24-29-43)38-15-9-16-39(31-38)41-25-30-48-46(33-41)45-19-7-8-20-47(45)50-48/h1-33H
InChIKeyVWAHAXQXNDBBRS-UHFFFAOYSA-N
MW655.87 g/mol
LogP14.19
Rot. Bonds7

About N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121261333) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121261333
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H33NS/c1-3-11-34(12-4-1)36-21-26-42(27-22-36)49(44-18-10-17-40(32-44)35-13-5-2-6-14-35)43-28-23-37(24-29-43)38-15-9-16-39(31-38)41-25-30-48-46(33-41)45-19-7-8-20-47(45)50-48/h1-33H
InChIKeyVWAHAXQXNDBBRS-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-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
N-(4-dibenzothiophen-2-ylphenyl)-3-(5-phenylthiophen-2-yl)-N-[3-(5-phenylthiophen-2-yl)phenyl]aniline
CID 123472005
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (CID 121261333) is N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VWAHAXQXNDBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-3-11-34(12-4-1)36-21-26-42(27-22-36)49(44-18-10-17-40(32-44)35-13-5-2-6-14-35)43-28-23-37(24-29-43)38-15-9-16-39(31-38)41-25-30-48-46(33-41)45-19-7-8-20-47(45)50-48/h1-33H.
What are the key properties of N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline 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-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121261333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).