6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C41H25N3O — CID 129087624

IUPAC6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C41H25N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-31-12-4-7-15-34(31)43-41(44-38)30-24-22-29(23-25-30)39-37-33-14-6-9-17-36(33)45-40(37)32-13-5-8-16-35(32)42-39/h1-25H
InChIKeyPPEZYIXEONUTOQ-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 129087624) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID129087624
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C41H25N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-31-12-4-7-15-34(31)43-41(44-38)30-24-22-29(23-25-30)39-37-33-14-6-9-17-36(33)45-40(37)32-13-5-8-16-35(32)42-39/h1-25H
InChIKeyPPEZYIXEONUTOQ-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 129087624) is 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is PPEZYIXEONUTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-31-12-4-7-15-34(31)43-41(44-38)30-24-22-29(23-25-30)39-37-33-14-6-9-17-36(33)45-40(37)32-13-5-8-16-35(32)42-39/h1-25H.
What are the key properties of 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 129087624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).