6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline

C40H28N6 — CID 154953159

IUPAC6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)=NC(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ncccc6c5)n4)c3)C2)cc1
InChIInChI=1S/C40H28N6/c1-4-12-27(13-5-1)35-26-36(43-37(42-35)28-14-6-2-7-15-28)31-18-10-19-32(25-31)39-44-38(29-16-8-3-9-17-29)45-40(46-39)33-21-22-34-30(24-33)20-11-23-41-34/h1-25,36H,26H2
InChIKeyQPDXCQVHEXEYLF-UHFFFAOYSA-N
MW592.71 g/mol
LogP8.80
Rot. Bonds6

About 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline

6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline (PubChem CID 154953159) has the molecular formula C40H28N6 and a molecular weight of 592.71 g/mol. Its IUPAC name is 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
PubChem CID154953159
Molecular FormulaC40H28N6
Molecular Weight592.71 g/mol
Exact Mass592.24
IUPAC Name6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)=NC(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ncccc6c5)n4)c3)C2)cc1
InChIInChI=1S/C40H28N6/c1-4-12-27(13-5-1)35-26-36(43-37(42-35)28-14-6-2-7-15-28)31-18-10-19-32(25-31)39-44-38(29-16-8-3-9-17-29)45-40(46-39)33-21-22-34-30(24-33)20-11-23-41-34/h1-25,36H,26H2
InChIKeyQPDXCQVHEXEYLF-UHFFFAOYSA-N
XLogP8.80
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.71
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225
(4S)-2,4-diphenyl-6-[4-(7-triphenylen-2-yldibenzothiophen-3-yl)phenyl]-4,5-dihydropyrimidine
CID 155002298
6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline
CID 165151561
6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 151110061
2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline
CID 159939622
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
6-[4-[4-[4-cyclohexa-1,5-dien-3-yn-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 154949161
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline (CID 154953159) is 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline is c1ccc(C2=NC(c3ccccc3)=NC(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ncccc6c5)n4)c3)C2)cc1.
What is the InChIKey of 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The InChIKey is QPDXCQVHEXEYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N6/c1-4-12-27(13-5-1)35-26-36(43-37(42-35)28-14-6-2-7-15-28)31-18-10-19-32(25-31)39-44-38(29-16-8-3-9-17-29)45-40(46-39)33-21-22-34-30(24-33)20-11-23-41-34/h1-25,36H,26H2.
What are the key properties of 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 592.71 g/mol, XLogP of 8.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 154953159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).