N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine

C43H28N2S — CID 170652892

IUPACN-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2nc3ccccc3cc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C43H28N2S/c1-2-12-31(13-3-1)43-37(28-33-15-6-8-17-38(33)44-43)30-22-24-34(25-23-30)45(35-26-21-29-11-4-5-14-32(29)27-35)39-18-10-20-41-42(39)36-16-7-9-19-40(36)46-41/h1-28H
InChIKeyAUVZUCHAHQFNFM-UHFFFAOYSA-N
MW604.78 g/mol
LogP12.56
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine

N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 170652892) has the molecular formula C43H28N2S and a molecular weight of 604.78 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine
PubChem CID170652892
Molecular FormulaC43H28N2S
Molecular Weight604.78 g/mol
Exact Mass604.20
IUPAC NameN-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2nc3ccccc3cc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C43H28N2S/c1-2-12-31(13-3-1)43-37(28-33-15-6-8-17-38(33)44-43)30-22-24-34(25-23-30)45(35-26-21-29-11-4-5-14-32(29)27-35)39-18-10-20-41-42(39)36-16-7-9-19-40(36)46-41/h1-28H
InChIKeyAUVZUCHAHQFNFM-UHFFFAOYSA-N
XLogP12.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.78
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-chrysen-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170137727
N-(3-phenylphenyl)-N-[4-(2-phenylquinolin-3-yl)phenyl]naphthalen-2-amine
CID 170652775
N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168788625
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-(7-phenanthren-9-ylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 169007066
N-[4-[3-(6-phenylnaphthalen-2-yl)quinolin-2-yl]phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170652888
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
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
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
CID 166861610

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine (CID 170652892) is N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2nc3ccccc3cc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is AUVZUCHAHQFNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2S/c1-2-12-31(13-3-1)43-37(28-33-15-6-8-17-38(33)44-43)30-22-24-34(25-23-30)45(35-26-21-29-11-4-5-14-32(29)27-35)39-18-10-20-41-42(39)36-16-7-9-19-40(36)46-41/h1-28H.
What are the key properties of N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine?
N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 604.78 g/mol, XLogP of 12.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 170652892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).