8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine

C30H20ClNS — CID 167230657

IUPAC8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine
SMILESClc1cccc(-c2ccc3sc4cccc(N(c5ccccc5)c5ccccc5)c4c3c2)c1
InChIInChI=1S/C30H20ClNS/c31-23-10-7-9-21(19-23)22-17-18-28-26(20-22)30-27(15-8-16-29(30)33-28)32(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-20H
InChIKeyLDWLWYANLYPOPB-UHFFFAOYSA-N
MW462.02 g/mol
LogP9.84
Rot. Bonds4

About 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine

8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine (PubChem CID 167230657) has the molecular formula C30H20ClNS and a molecular weight of 462.02 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine.

Molecular Properties

Compound Name8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine
PubChem CID167230657
Molecular FormulaC30H20ClNS
Molecular Weight462.02 g/mol
Exact Mass461.10
IUPAC Name8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine
SMILESClc1cccc(-c2ccc3sc4cccc(N(c5ccccc5)c5ccccc5)c4c3c2)c1
InChIInChI=1S/C30H20ClNS/c31-23-10-7-9-21(19-23)22-17-18-28-26(20-22)30-27(15-8-16-29(30)33-28)32(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-20H
InChIKeyLDWLWYANLYPOPB-UHFFFAOYSA-N
XLogP9.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.02
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156521449
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine?
The IUPAC name of 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine (CID 167230657) is 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine.
What is the SMILES notation for 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine?
The canonical SMILES for 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine is Clc1cccc(-c2ccc3sc4cccc(N(c5ccccc5)c5ccccc5)c4c3c2)c1.
What is the InChIKey of 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine?
The InChIKey is LDWLWYANLYPOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClNS/c31-23-10-7-9-21(19-23)22-17-18-28-26(20-22)30-27(15-8-16-29(30)33-28)32(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-20H.
What are the key properties of 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine?
8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine has a molecular weight of 462.02 g/mol, XLogP of 9.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-N,N-diphenyldibenzothiophen-1-amine is sourced from PubChem (CID 167230657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).