N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine

C34H22ClNS — CID 166917856

IUPACN-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
SMILESClc1ccc2c(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C34H22ClNS/c35-25-15-19-30-24(21-25)7-6-11-29(30)23-13-16-27(17-14-23)36(26-8-2-1-3-9-26)28-18-20-34-32(22-28)31-10-4-5-12-33(31)37-34/h1-22H
InChIKeySGPGDAVIDSEDOD-UHFFFAOYSA-N
MW512.08 g/mol
LogP11.00
Rot. Bonds4

About N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine

N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine (PubChem CID 166917856) has the molecular formula C34H22ClNS and a molecular weight of 512.08 g/mol. Its IUPAC name is N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
PubChem CID166917856
Molecular FormulaC34H22ClNS
Molecular Weight512.08 g/mol
Exact Mass511.12
IUPAC NameN-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
SMILESClc1ccc2c(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C34H22ClNS/c35-25-15-19-30-24(21-25)7-6-11-29(30)23-13-16-27(17-14-23)36(26-8-2-1-3-9-26)28-18-20-34-32(22-28)31-10-4-5-12-33(31)37-34/h1-22H
InChIKeySGPGDAVIDSEDOD-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

N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039130
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
9-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 166055432
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
7-N-dibenzothiophen-2-yl-7-N-(4-dibenzothiophen-4-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(4-dibenzothiophen-4-ylphenyl)-7-N-(4-naphthalen-1-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 157139417
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037124
7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine
CID 154971789
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-phenyl-N-[4-[5-(N-phenylanilino)phenanthren-9-yl]phenyl]dibenzothiophen-2-amine
CID 170285392

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine (CID 166917856) is N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine is Clc1ccc2c(-c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)cccc2c1.
What is the InChIKey of N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is SGPGDAVIDSEDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22ClNS/c35-25-15-19-30-24(21-25)7-6-11-29(30)23-13-16-27(17-14-23)36(26-8-2-1-3-9-26)28-18-20-34-32(22-28)31-10-4-5-12-33(31)37-34/h1-22H.
What are the key properties of N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-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 N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 166917856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).