2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol

C36H24N4O — CID 142621865

IUPAC2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol
SMILESOc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)nc2ccccc12
InChIInChI=1S/C36H24N4O/c41-33-23-32(37-31-20-8-7-19-30(31)33)27-16-10-18-29(22-27)36-39-34(25-13-5-2-6-14-25)38-35(40-36)28-17-9-15-26(21-28)24-11-3-1-4-12-24/h1-23H,(H,37,41)
InChIKeyRYJPDTBQPCRJLL-UHFFFAOYSA-N
MW528.62 g/mol
LogP8.46
Rot. Bonds5

About 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol

2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol (PubChem CID 142621865) has the molecular formula C36H24N4O and a molecular weight of 528.62 g/mol. Its IUPAC name is 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol.

Molecular Properties

Compound Name2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol
PubChem CID142621865
Molecular FormulaC36H24N4O
Molecular Weight528.62 g/mol
Exact Mass528.20
IUPAC Name2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol
SMILESOc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)nc2ccccc12
InChIInChI=1S/C36H24N4O/c41-33-23-32(37-31-20-8-7-19-30(31)33)27-16-10-18-29(22-27)36-39-34(25-13-5-2-6-14-25)38-35(40-36)28-17-9-15-26(21-28)24-11-3-1-4-12-24/h1-23H,(H,37,41)
InChIKeyRYJPDTBQPCRJLL-UHFFFAOYSA-N
XLogP8.46
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(4-Methylpiperidin-1-yl)quinazolin-2-yl)phenol
CID 710985
4-[[2-(3-Methylphenyl)quinazolin-4-yl]amino]phenol
CID 731016
2-(4-(4-Methylpiperazin-1-yl)quinazolin-2-yl)phenol
CID 879195
2-[4-(3-Methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 2921233
6-[4-[4-(phenylmethyl)-1-piperazinyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 661964
3-{[2-(3-Methylphenyl)quinazolin-4-yl]amino}phenol
CID 700756
2-[[4-(2-Phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol
CID 71508230
4-[[4-(2-Phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol
CID 71508893
2-[4-(4-Ethylpiperazin-4-ium-1-yl)quinazolin-2-yl]phenolate
CID 802353
2-(4-(2-Methylpiperidin-1-yl)quinazolin-2-yl)phenol
CID 2921300
3-(4-Phenanthridin-6-ylpiperazin-1-yl)phenol
CID 76321326
Phenol, 2-(4-phenyl-2-quinazolinyl)-
CID 91317

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol?
The IUPAC name of 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol (CID 142621865) is 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol.
What is the SMILES notation for 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol?
The canonical SMILES for 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol is Oc1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)nc2ccccc12.
What is the InChIKey of 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol?
The InChIKey is RYJPDTBQPCRJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4O/c41-33-23-32(37-31-20-8-7-19-30(31)33)27-16-10-18-29(22-27)36-39-34(25-13-5-2-6-14-25)38-35(40-36)28-17-9-15-26(21-28)24-11-3-1-4-12-24/h1-23H,(H,37,41).
What are the key properties of 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol?
2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol has a molecular weight of 528.62 g/mol, XLogP of 8.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinolin-4-ol is sourced from PubChem (CID 142621865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).