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

C49H31N7 — CID 147782401

IUPAC4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)n3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H31N7/c1-4-16-34(17-5-1)45-51-42(39-25-14-22-32-15-10-11-23-38(32)39)31-43(52-45)49-55-47(36-20-8-3-9-21-36)54-48(56-49)37-29-27-33(28-30-37)44-40-24-12-13-26-41(40)50-46(53-44)35-18-6-2-7-19-35/h1-31H
InChIKeyHIAPJENKRPSDNE-UHFFFAOYSA-N
MW717.84 g/mol
LogP11.43
Rot. Bonds7

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

4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline (PubChem CID 147782401) has the molecular formula C49H31N7 and a molecular weight of 717.84 g/mol. Its IUPAC name is 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
PubChem CID147782401
Molecular FormulaC49H31N7
Molecular Weight717.84 g/mol
Exact Mass717.26
IUPAC Name4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
SMILESc1ccc(-c2nc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)n3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H31N7/c1-4-16-34(17-5-1)45-51-42(39-25-14-22-32-15-10-11-23-38(32)39)31-43(52-45)49-55-47(36-20-8-3-9-21-36)54-48(56-49)37-29-27-33(28-30-37)44-40-24-12-13-26-41(40)50-46(53-44)35-18-6-2-7-19-35/h1-31H
InChIKeyHIAPJENKRPSDNE-UHFFFAOYSA-N
XLogP11.43
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.84
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
22-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474955
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
4-[4-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163817234

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
The IUPAC name of 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline (CID 147782401) is 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline is c1ccc(-c2nc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc6ccccc56)cc4)n3)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
The InChIKey is HIAPJENKRPSDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N7/c1-4-16-34(17-5-1)45-51-42(39-25-14-22-32-15-10-11-23-38(32)39)31-43(52-45)49-55-47(36-20-8-3-9-21-36)54-48(56-49)37-29-27-33(28-30-37)44-40-24-12-13-26-41(40)50-46(53-44)35-18-6-2-7-19-35/h1-31H.
What are the key properties of 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline?
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline has a molecular weight of 717.84 g/mol, XLogP of 11.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline is sourced from PubChem (CID 147782401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).