3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one

C30H20N4O — CID 142621956

IUPAC3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one
SMILESO=c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c[nH]c2ccccc12
InChIInChI=1S/C30H20N4O/c35-27-24-13-7-8-14-26(24)31-19-25(27)20-15-17-23(18-16-20)30-33-28(21-9-3-1-4-10-21)32-29(34-30)22-11-5-2-6-12-22/h1-19H,(H,31,35)
InChIKeyMJHBZFSMGJRPCB-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.38
Rot. Bonds4

About 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one (PubChem CID 142621956) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one
PubChem CID142621956
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one
SMILESO=c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c[nH]c2ccccc12
InChIInChI=1S/C30H20N4O/c35-27-24-13-7-8-14-26(24)31-19-25(27)20-15-17-23(18-16-20)30-33-28(21-9-3-1-4-10-21)32-29(34-30)22-11-5-2-6-12-22/h1-19H,(H,31,35)
InChIKeyMJHBZFSMGJRPCB-UHFFFAOYSA-N
XLogP6.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one with MolForge

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Related Compounds

3-(4-methylphenyl)-1H-quinolin-4-one
CID 15930283
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 135636020
methane;3-phenyl-1H-indole
CID 167711687
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
7-methyl-3-phenyl-1H-quinolin-4-one
CID 59110346
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 135636028
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one
CID 155137996
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325
2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 137393003
2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137393008
3-pyridin-4-yl-1H-indole
CID 159430533
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one?
The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one (CID 142621956) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one is O=c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c[nH]c2ccccc12.
What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one?
The InChIKey is MJHBZFSMGJRPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c35-27-24-13-7-8-14-26(24)31-19-25(27)20-15-17-23(18-16-20)30-33-28(21-9-3-1-4-10-21)32-29(34-30)22-11-5-2-6-12-22/h1-19H,(H,31,35).
What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one?
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one has a molecular weight of 452.52 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 142621956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).