3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline

C28H24N2 — CID 170214830

IUPAC3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline
SMILESCc1ccccc1-c1ncc2c(cc(-c3ccc(C(C)C)cc3)c3ccccc32)n1
InChIInChI=1S/C28H24N2/c1-18(2)20-12-14-21(15-13-20)25-16-27-26(24-11-7-6-10-23(24)25)17-29-28(30-27)22-9-5-4-8-19(22)3/h4-18H,1-3H3
InChIKeyUKYDHEGDEQOERK-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.55
Rot. Bonds3

About 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline

3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline (PubChem CID 170214830) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline.

Molecular Properties

Compound Name3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline
PubChem CID170214830
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline
SMILESCc1ccccc1-c1ncc2c(cc(-c3ccc(C(C)C)cc3)c3ccccc32)n1
InChIInChI=1S/C28H24N2/c1-18(2)20-12-14-21(15-13-20)25-16-27-26(24-11-7-6-10-23(24)25)17-29-28(30-27)22-9-5-4-8-19(22)3/h4-18H,1-3H3
InChIKeyUKYDHEGDEQOERK-UHFFFAOYSA-N
XLogP7.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline?
The IUPAC name of 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline (CID 170214830) is 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline.
What is the SMILES notation for 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline?
The canonical SMILES for 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline is Cc1ccccc1-c1ncc2c(cc(-c3ccc(C(C)C)cc3)c3ccccc32)n1.
What is the InChIKey of 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline?
The InChIKey is UKYDHEGDEQOERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-18(2)20-12-14-21(15-13-20)25-16-27-26(24-11-7-6-10-23(24)25)17-29-28(30-27)22-9-5-4-8-19(22)3/h4-18H,1-3H3.
What are the key properties of 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline?
3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline has a molecular weight of 388.51 g/mol, XLogP of 7.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline is sourced from PubChem (CID 170214830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).