4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline

C28H19N3 — CID 175594649

IUPAC4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline
SMILESc1ccc(-c2nc(-c3[nH]c4ccccc4c3-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H19N3/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)29-27(25)28-30-24-18-10-8-16-22(24)26(31-28)20-13-5-2-6-14-20/h1-18,29H
InChIKeyKNLJZIRHABNHMW-UHFFFAOYSA-N
MW397.48 g/mol
LogP7.11
Rot. Bonds3

About 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline

4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline (PubChem CID 175594649) has the molecular formula C28H19N3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline.

Molecular Properties

Compound Name4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline
PubChem CID175594649
Molecular FormulaC28H19N3
Molecular Weight397.48 g/mol
Exact Mass397.16
IUPAC Name4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline
SMILESc1ccc(-c2nc(-c3[nH]c4ccccc4c3-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H19N3/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)29-27(25)28-30-24-18-10-8-16-22(24)26(31-28)20-13-5-2-6-14-20/h1-18,29H
InChIKeyKNLJZIRHABNHMW-UHFFFAOYSA-N
XLogP7.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline?
The IUPAC name of 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline (CID 175594649) is 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline.
What is the SMILES notation for 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline?
The canonical SMILES for 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline is c1ccc(-c2nc(-c3[nH]c4ccccc4c3-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline?
The InChIKey is KNLJZIRHABNHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)29-27(25)28-30-24-18-10-8-16-22(24)26(31-28)20-13-5-2-6-14-20/h1-18,29H.
What are the key properties of 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline?
4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline has a molecular weight of 397.48 g/mol, XLogP of 7.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline is sourced from PubChem (CID 175594649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).