4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline

C53H33N7 — CID 163760027

IUPAC4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)cc3)nc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)n2)cc1
InChIInChI=1S/C53H33N7/c1-3-15-37(16-4-1)49-54-45-22-12-11-21-44(45)48(57-49)36-25-27-39(28-26-36)51-58-50(38-17-5-2-6-18-38)59-53(60-51)47-33-46(42-29-23-34-13-7-9-19-40(34)31-42)55-52(56-47)43-30-24-35-14-8-10-20-41(35)32-43/h1-33H
InChIKeyLXKHCHJRQHYROR-UHFFFAOYSA-N
MW767.90 g/mol
LogP12.58
Rot. Bonds7

About 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline

4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline (PubChem CID 163760027) has the molecular formula C53H33N7 and a molecular weight of 767.90 g/mol. Its IUPAC name is 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
PubChem CID163760027
Molecular FormulaC53H33N7
Molecular Weight767.90 g/mol
Exact Mass767.28
IUPAC Name4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)cc3)nc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)n2)cc1
InChIInChI=1S/C53H33N7/c1-3-15-37(16-4-1)49-54-45-22-12-11-21-44(45)48(57-49)36-25-27-39(28-26-36)51-58-50(38-17-5-2-6-18-38)59-53(60-51)47-33-46(42-29-23-34-13-7-9-19-40(34)31-42)55-52(56-47)43-30-24-35-14-8-10-20-41(35)32-43/h1-33H
InChIKeyLXKHCHJRQHYROR-UHFFFAOYSA-N
XLogP12.58
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.90
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 153244283
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline
CID 165150968
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole
CID 163592930
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline (CID 163760027) is 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline is c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)cc3)nc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)n2)cc1.
What is the InChIKey of 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
The InChIKey is LXKHCHJRQHYROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N7/c1-3-15-37(16-4-1)49-54-45-22-12-11-21-44(45)48(57-49)36-25-27-39(28-26-36)51-58-50(38-17-5-2-6-18-38)59-53(60-51)47-33-46(42-29-23-34-13-7-9-19-40(34)31-42)55-52(56-47)43-30-24-35-14-8-10-20-41(35)32-43/h1-33H.
What are the key properties of 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline has a molecular weight of 767.90 g/mol, XLogP of 12.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline is sourced from PubChem (CID 163760027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).