2,4,4-triphenyl-1H-quinazoline

C26H20N2 — CID 3981605

IUPAC2,4,4-triphenyl-1H-quinazoline
SMILESc1ccc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1
InChIInChI=1S/C26H20N2/c1-4-12-20(13-5-1)25-27-24-19-11-10-18-23(24)26(28-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,27,28)
InChIKeyCRSXMVNRRDHDRV-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.85
Rot. Bonds3

About 2,4,4-triphenyl-1H-quinazoline

2,4,4-triphenyl-1H-quinazoline (PubChem CID 3981605) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,4,4-triphenyl-1H-quinazoline.

Molecular Properties

Compound Name2,4,4-triphenyl-1H-quinazoline
PubChem CID3981605
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2,4,4-triphenyl-1H-quinazoline
SMILESc1ccc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1
InChIInChI=1S/C26H20N2/c1-4-12-20(13-5-1)25-27-24-19-11-10-18-23(24)26(28-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,27,28)
InChIKeyCRSXMVNRRDHDRV-UHFFFAOYSA-N
XLogP5.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-triphenyl-1H-quinazoline?
The IUPAC name of 2,4,4-triphenyl-1H-quinazoline (CID 3981605) is 2,4,4-triphenyl-1H-quinazoline.
What is the SMILES notation for 2,4,4-triphenyl-1H-quinazoline?
The canonical SMILES for 2,4,4-triphenyl-1H-quinazoline is c1ccc(C2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1.
What is the InChIKey of 2,4,4-triphenyl-1H-quinazoline?
The InChIKey is CRSXMVNRRDHDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-4-12-20(13-5-1)25-27-24-19-11-10-18-23(24)26(28-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,27,28).
What are the key properties of 2,4,4-triphenyl-1H-quinazoline?
2,4,4-triphenyl-1H-quinazoline has a molecular weight of 360.46 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-triphenyl-1H-quinazoline is sourced from PubChem (CID 3981605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).