7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline

C30H20N2S — CID 139772909

IUPAC7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline
SMILESc1ccc(-c2ccc3c(Sc4ccnc5cc(-c6ccccc6)ccc45)ccnc3c2)cc1
InChIInChI=1S/C30H20N2S/c1-3-7-21(8-4-1)23-11-13-25-27(19-23)31-17-15-29(25)33-30-16-18-32-28-20-24(12-14-26(28)30)22-9-5-2-6-10-22/h1-20H
InChIKeyJPPVQTRTLCYBKR-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.27
Rot. Bonds4

About 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline

7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline (PubChem CID 139772909) has the molecular formula C30H20N2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline.

Molecular Properties

Compound Name7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline
PubChem CID139772909
Molecular FormulaC30H20N2S
Molecular Weight440.57 g/mol
Exact Mass440.13
IUPAC Name7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline
SMILESc1ccc(-c2ccc3c(Sc4ccnc5cc(-c6ccccc6)ccc45)ccnc3c2)cc1
InChIInChI=1S/C30H20N2S/c1-3-7-21(8-4-1)23-11-13-25-27(19-23)31-17-15-29(25)33-30-16-18-32-28-20-24(12-14-26(28)30)22-9-5-2-6-10-22/h1-20H
InChIKeyJPPVQTRTLCYBKR-UHFFFAOYSA-N
XLogP8.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloroquinolin-4-yl)sulfanylphenol
CID 62026689
4-(2-bromophenyl)sulfanylquinolin-7-amine
CID 103002516
7-methoxy-4-phenylsulfanylquinoline
CID 59598389
2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174
4-(6-iodohexylsulfanyl)-7-pyridin-2-ylquinoline
CID 169178077
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
4-phenyl-2-propan-2-ylpyridine
CID 59796805
6-triphenylen-2-ylquinoxaline
CID 118490639
1-(6-phenylquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
CID 123153817
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline?
The IUPAC name of 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline (CID 139772909) is 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline.
What is the SMILES notation for 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline?
The canonical SMILES for 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline is c1ccc(-c2ccc3c(Sc4ccnc5cc(-c6ccccc6)ccc45)ccnc3c2)cc1.
What is the InChIKey of 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline?
The InChIKey is JPPVQTRTLCYBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S/c1-3-7-21(8-4-1)23-11-13-25-27(19-23)31-17-15-29(25)33-30-16-18-32-28-20-24(12-14-26(28)30)22-9-5-2-6-10-22/h1-20H.
What are the key properties of 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline?
7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline has a molecular weight of 440.57 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-(7-phenylquinolin-4-yl)sulfanylquinoline is sourced from PubChem (CID 139772909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).