[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone

C33H23NOS — CID 27162338

IUPAC[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccc2)c(N(c2ccccc2)c2ccc3ccccc3c2)s1
InChIInChI=1S/C33H23NOS/c35-32(26-15-6-2-7-16-26)31-23-30(25-13-4-1-5-14-25)33(36-31)34(28-18-8-3-9-19-28)29-21-20-24-12-10-11-17-27(24)22-29/h1-23H
InChIKeyRSLPNQFRMBFSMF-UHFFFAOYSA-N
MW481.62 g/mol
LogP9.27
Rot. Bonds6

About [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone

[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone (PubChem CID 27162338) has the molecular formula C33H23NOS and a molecular weight of 481.62 g/mol. Its IUPAC name is [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone
PubChem CID27162338
Molecular FormulaC33H23NOS
Molecular Weight481.62 g/mol
Exact Mass481.15
IUPAC Name[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccc2)c(N(c2ccccc2)c2ccc3ccccc3c2)s1
InChIInChI=1S/C33H23NOS/c35-32(26-15-6-2-7-16-26)31-23-30(25-13-4-1-5-14-25)33(36-31)34(28-18-8-3-9-19-28)29-21-20-24-12-10-11-17-27(24)22-29/h1-23H
InChIKeyRSLPNQFRMBFSMF-UHFFFAOYSA-N
XLogP9.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone
CID 3732236
1-[5-(N-naphthalen-1-ylanilino)-4-phenylthiophen-2-yl]ethanone
CID 12067400
bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone
CID 58299107
N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 58715856
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
6-[(E)-2-naphthalen-2-yl-1,2-diphenylethenyl]-N,N-bis(2-phenylphenyl)naphthalen-2-amine
CID 58667645
[4-(N-naphthalen-2-ylanilino)phenyl]-[4-(10H-phenothiazin-1-yl)phenyl]methanone
CID 175273873
N-[4-(3-chlorophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 170223458
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
6-[(E)-1,2-diphenyl-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]-N,N-diphenylnaphthalen-2-amine
CID 58667564

Frequently Asked Questions

What is the IUPAC name of [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone (CID 27162338) is [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone is O=C(c1ccccc1)c1cc(-c2ccccc2)c(N(c2ccccc2)c2ccc3ccccc3c2)s1.
What is the InChIKey of [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone?
The InChIKey is RSLPNQFRMBFSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NOS/c35-32(26-15-6-2-7-16-26)31-23-30(25-13-4-1-5-14-25)33(36-31)34(28-18-8-3-9-19-28)29-21-20-24-12-10-11-17-27(24)22-29/h1-23H.
What are the key properties of [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone?
[5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone has a molecular weight of 481.62 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(N-naphthalen-2-ylanilino)-4-phenylthiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 27162338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).