2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline

C28H22N2 — CID 140745309

IUPAC2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline
SMILESCc1cc(C)cc(-c2ncc3cc(-c4ccccc4)cc(-c4ccccc4)c3n2)c1
InChIInChI=1S/C28H22N2/c1-19-13-20(2)15-24(14-19)28-29-18-25-16-23(21-9-5-3-6-10-21)17-26(27(25)30-28)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyTUNQUQIQXYARDS-UHFFFAOYSA-N
MW386.50 g/mol
LogP7.25
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline

2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline (PubChem CID 140745309) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline
PubChem CID140745309
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline
SMILESCc1cc(C)cc(-c2ncc3cc(-c4ccccc4)cc(-c4ccccc4)c3n2)c1
InChIInChI=1S/C28H22N2/c1-19-13-20(2)15-24(14-19)28-29-18-25-16-23(21-9-5-3-6-10-21)17-26(27(25)30-28)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyTUNQUQIQXYARDS-UHFFFAOYSA-N
XLogP7.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dimethyl-2-phenylquinazoline
CID 132546022
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
N-[3-(2,6-diphenylquinazolin-8-yl)phenyl]prop-2-enamide
CID 134264530
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
7-methyl-2-phenylquinazoline
CID 102363369
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline (CID 140745309) is 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline is Cc1cc(C)cc(-c2ncc3cc(-c4ccccc4)cc(-c4ccccc4)c3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline?
The InChIKey is TUNQUQIQXYARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-19-13-20(2)15-24(14-19)28-29-18-25-16-23(21-9-5-3-6-10-21)17-26(27(25)30-28)22-11-7-4-8-12-22/h3-18H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline?
2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline has a molecular weight of 386.50 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6,8-diphenylquinazoline is sourced from PubChem (CID 140745309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).