9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine

C34H22ClNS — CID 139422504

IUPAC9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESClc1cccc2sc3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3c12
InChIInChI=1S/C34H22ClNS/c35-28-14-7-17-31-33(28)34-30(16-8-18-32(34)37-31)36(29-15-6-12-25-11-4-5-13-27(25)29)26-21-19-24(20-22-26)23-9-2-1-3-10-23/h1-22H
InChIKeyYAXQKWPWKPAXJW-UHFFFAOYSA-N
MW512.08 g/mol
LogP11.00
Rot. Bonds4

About 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine

9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 139422504) has the molecular formula C34H22ClNS and a molecular weight of 512.08 g/mol. Its IUPAC name is 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID139422504
Molecular FormulaC34H22ClNS
Molecular Weight512.08 g/mol
Exact Mass511.12
IUPAC Name9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESClc1cccc2sc3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3c12
InChIInChI=1S/C34H22ClNS/c35-28-14-7-17-31-33(28)34-30(16-8-18-32(34)37-31)36(29-15-6-12-25-11-4-5-13-27(25)29)26-21-19-24(20-22-26)23-9-2-1-3-10-23/h1-22H
InChIKeyYAXQKWPWKPAXJW-UHFFFAOYSA-N
XLogP11.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170272338
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
N-chrysen-3-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-11-amine
CID 170140482
N-(2-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 138519823
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930
N-phenyl-N-(4-phenylphenyl)-19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060583
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 139422504) is 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine is Clc1cccc2sc3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)c3c12.
What is the InChIKey of 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is YAXQKWPWKPAXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22ClNS/c35-28-14-7-17-31-33(28)34-30(16-8-18-32(34)37-31)36(29-15-6-12-25-11-4-5-13-27(25)29)26-21-19-24(20-22-26)23-9-2-1-3-10-23/h1-22H.
What are the key properties of 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 512.08 g/mol, XLogP of 11.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 139422504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).