[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine

C31H23N3 — CID 57121415

IUPAC[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine
SMILESNCc1c(-c2ccccc2)ccc(-c2ccnc3ccccc23)c1-c1ccnc2ccccc12
InChIInChI=1S/C31H23N3/c32-20-28-22(21-8-2-1-3-9-21)14-15-26(23-16-18-33-29-12-6-4-10-24(23)29)31(28)27-17-19-34-30-13-7-5-11-25(27)30/h1-19H,20,32H2
InChIKeyNVEMMTUICFLTNL-UHFFFAOYSA-N
MW437.55 g/mol
LogP7.24
Rot. Bonds4

About [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine

[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine (PubChem CID 57121415) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine
PubChem CID57121415
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC Name[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine
SMILESNCc1c(-c2ccccc2)ccc(-c2ccnc3ccccc23)c1-c1ccnc2ccccc12
InChIInChI=1S/C31H23N3/c32-20-28-22(21-8-2-1-3-9-21)14-15-26(23-16-18-33-29-12-6-4-10-24(23)29)31(28)27-17-19-34-30-13-7-5-11-25(27)30/h1-19H,20,32H2
InChIKeyNVEMMTUICFLTNL-UHFFFAOYSA-N
XLogP7.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-quinolin-4-ylphenyl)methanamine
CID 150465725
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
cyclopenta[d][1]benzazepine
CID 90914140
2-(4-quinolin-4-ylphenyl)ethanamine
CID 110282335
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
(2-chloro-4-phenyl-3-pyridinyl)methanamine
CID 82675762
(2-quinolin-5-ylphenyl)methanamine
CID 81224360
4-pyrimidin-2-ylquinoline
CID 123157198
CID 175088616
CID 175088616
4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline
CID 123156148
(2,6-diphenylphenyl)methanamine
CID 72713892
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443

Frequently Asked Questions

What is the IUPAC name of [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine?
The IUPAC name of [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine (CID 57121415) is [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine.
What is the SMILES notation for [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine?
The canonical SMILES for [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine is NCc1c(-c2ccccc2)ccc(-c2ccnc3ccccc23)c1-c1ccnc2ccccc12.
What is the InChIKey of [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine?
The InChIKey is NVEMMTUICFLTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c32-20-28-22(21-8-2-1-3-9-21)14-15-26(23-16-18-33-29-12-6-4-10-24(23)29)31(28)27-17-19-34-30-13-7-5-11-25(27)30/h1-19H,20,32H2.
What are the key properties of [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine?
[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine has a molecular weight of 437.55 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine is sourced from PubChem (CID 57121415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).