N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine

C40H30N2S — CID 58661029

IUPACN-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(Sc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C40H30N2S/c1-4-15-32(16-5-1)41(33-17-6-2-7-18-33)35-23-27-37(28-24-35)43-38-29-25-36(26-30-38)42(34-19-8-3-9-20-34)40-22-12-14-31-13-10-11-21-39(31)40/h1-30H
InChIKeyOQZDODZZXBZZAV-UHFFFAOYSA-N
MW570.76 g/mol
LogP11.93
Rot. Bonds8

About N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine

N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine (PubChem CID 58661029) has the molecular formula C40H30N2S and a molecular weight of 570.76 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine
PubChem CID58661029
Molecular FormulaC40H30N2S
Molecular Weight570.76 g/mol
Exact Mass570.21
IUPAC NameN-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(Sc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C40H30N2S/c1-4-15-32(16-5-1)41(33-17-6-2-7-18-33)35-23-27-37(28-24-35)43-38-29-25-36(26-30-38)42(34-19-8-3-9-20-34)40-22-12-14-31-13-10-11-21-39(31)40/h1-30H
InChIKeyOQZDODZZXBZZAV-UHFFFAOYSA-N
XLogP11.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.76
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]sulfanylphenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58729740
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine (CID 58661029) is N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine is c1ccc(N(c2ccccc2)c2ccc(Sc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine?
The InChIKey is OQZDODZZXBZZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2S/c1-4-15-32(16-5-1)41(33-17-6-2-7-18-33)35-23-27-37(28-24-35)43-38-29-25-36(26-30-38)42(34-19-8-3-9-20-34)40-22-12-14-31-13-10-11-21-39(31)40/h1-30H.
What are the key properties of N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine?
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine has a molecular weight of 570.76 g/mol, XLogP of 11.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine is sourced from PubChem (CID 58661029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).