2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline

C53H37N5 — CID 58382612

IUPAC2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5ccc6ccccc6n5)cc4)cc(-c4ccc(-c5ccc6ccccc6n5)cc4)c3)n2)cc1
InChIInChI=1S/C53H37N5/c1-34-11-15-42(16-12-34)51-56-52(43-17-13-35(2)14-18-43)58-53(57-51)46-32-44(36-19-23-40(24-20-36)49-29-27-38-7-3-5-9-47(38)54-49)31-45(33-46)37-21-25-41(26-22-37)50-30-28-39-8-4-6-10-48(39)55-50/h3-33H,1-2H3
InChIKeyZXQUUMBEDQNWKJ-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.25
Rot. Bonds7

About 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline

2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline (PubChem CID 58382612) has the molecular formula C53H37N5 and a molecular weight of 743.91 g/mol. Its IUPAC name is 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
PubChem CID58382612
Molecular FormulaC53H37N5
Molecular Weight743.91 g/mol
Exact Mass743.30
IUPAC Name2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5ccc6ccccc6n5)cc4)cc(-c4ccc(-c5ccc6ccccc6n5)cc4)c3)n2)cc1
InChIInChI=1S/C53H37N5/c1-34-11-15-42(16-12-34)51-56-52(43-17-13-35(2)14-18-43)58-53(57-51)46-32-44(36-19-23-40(24-20-36)49-29-27-38-7-3-5-9-47(38)54-49)31-45(33-46)37-21-25-41(26-22-37)50-30-28-39-8-4-6-10-48(39)55-50/h3-33H,1-2H3
InChIKeyZXQUUMBEDQNWKJ-UHFFFAOYSA-N
XLogP13.25
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159273767
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382636
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
CID 118582341
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
iridium;tris(2-phenylquinoline)
CID 122129463
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]quinazoline
CID 164989766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline?
The IUPAC name of 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline (CID 58382612) is 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline?
The canonical SMILES for 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5ccc6ccccc6n5)cc4)cc(-c4ccc(-c5ccc6ccccc6n5)cc4)c3)n2)cc1.
What is the InChIKey of 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline?
The InChIKey is ZXQUUMBEDQNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5/c1-34-11-15-42(16-12-34)51-56-52(43-17-13-35(2)14-18-43)58-53(57-51)46-32-44(36-19-23-40(24-20-36)49-29-27-38-7-3-5-9-47(38)54-49)31-45(33-46)37-21-25-41(26-22-37)50-30-28-39-8-4-6-10-48(39)55-50/h3-33H,1-2H3.
What are the key properties of 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline?
2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline has a molecular weight of 743.91 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 58382612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).