N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine

C40H26ClNS — CID 167231318

IUPACN-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESClc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C40H26ClNS/c41-31-20-17-28(18-21-31)35-23-24-36(40-39(35)37-15-6-7-16-38(37)43-40)30-11-8-14-33(26-30)42(32-12-2-1-3-13-32)34-22-19-27-9-4-5-10-29(27)25-34/h1-26H
InChIKeyRBWIVKORJUZYPC-UHFFFAOYSA-N
MW588.18 g/mol
LogP12.66
Rot. Bonds5

About N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 167231318) has the molecular formula C40H26ClNS and a molecular weight of 588.18 g/mol. Its IUPAC name is N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID167231318
Molecular FormulaC40H26ClNS
Molecular Weight588.18 g/mol
Exact Mass587.15
IUPAC NameN-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESClc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C40H26ClNS/c41-31-20-17-28(18-21-31)35-23-24-36(40-39(35)37-15-6-7-16-38(37)43-40)30-11-8-14-33(26-30)42(32-12-2-1-3-13-32)34-22-19-27-9-4-5-10-29(27)25-34/h1-26H
InChIKeyRBWIVKORJUZYPC-UHFFFAOYSA-N
XLogP12.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.18
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-1-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 175615775
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
CID 167086388
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 158103860

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 167231318) is N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine is Clc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3sc4ccccc4c23)cc1.
What is the InChIKey of N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is RBWIVKORJUZYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26ClNS/c41-31-20-17-28(18-21-31)35-23-24-36(40-39(35)37-15-6-7-16-38(37)43-40)30-11-8-14-33(26-30)42(32-12-2-1-3-13-32)34-22-19-27-9-4-5-10-29(27)25-34/h1-26H.
What are the key properties of N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 588.18 g/mol, XLogP of 12.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 167231318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).