N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline

C36H25NS — CID 170181051

IUPACN-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-c3ccc(-c4ccc5sccc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C36H25NS/c1-2-9-25(10-3-1)32-13-6-7-16-35(32)37-29-12-8-11-26(24-29)30-18-19-31(34-15-5-4-14-33(30)34)27-17-20-36-28(23-27)21-22-38-36/h1-24,37H
InChIKeyIVMCMCGFIHEOTD-UHFFFAOYSA-N
MW503.67 g/mol
LogP10.80
Rot. Bonds5

About N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline

N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline (PubChem CID 170181051) has the molecular formula C36H25NS and a molecular weight of 503.67 g/mol. Its IUPAC name is N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
PubChem CID170181051
Molecular FormulaC36H25NS
Molecular Weight503.67 g/mol
Exact Mass503.17
IUPAC NameN-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-c3ccc(-c4ccc5sccc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C36H25NS/c1-2-9-25(10-3-1)32-13-6-7-16-35(32)37-29-12-8-11-26(24-29)30-18-19-31(34-15-5-4-14-33(30)34)27-17-20-36-28(23-27)21-22-38-36/h1-24,37H
InChIKeyIVMCMCGFIHEOTD-UHFFFAOYSA-N
XLogP10.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 510.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
CID 89331007
N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170181041
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
benzene;N,2-diphenylaniline
CID 175029921
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
The IUPAC name of N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline (CID 170181051) is N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline.
What is the SMILES notation for N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
The canonical SMILES for N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline is c1ccc(-c2ccccc2Nc2cccc(-c3ccc(-c4ccc5sccc5c4)c4ccccc34)c2)cc1.
What is the InChIKey of N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
The InChIKey is IVMCMCGFIHEOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NS/c1-2-9-25(10-3-1)32-13-6-7-16-35(32)37-29-12-8-11-26(24-29)30-18-19-31(34-15-5-4-14-33(30)34)27-17-20-36-28(23-27)21-22-38-36/h1-24,37H.
What are the key properties of N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline?
N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline has a molecular weight of 503.67 g/mol, XLogP of 10.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline is sourced from PubChem (CID 170181051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).