6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline

C41H27N3O — CID 170116532

IUPAC6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESC1=Cc2nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccccc4)cc3)c2CC1
InChIInChI=1S/C41H27N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-32-13-5-8-16-35(32)43-41(44-38)30-24-22-29(23-25-30)39-40-37(31-12-4-7-15-34(31)42-39)33-14-6-9-17-36(33)45-40/h1-4,6-12,14-25H,5,13H2
InChIKeyVWOWFCRSIUJCLU-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.55
Rot. Bonds4

About 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline

6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 170116532) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
PubChem CID170116532
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESC1=Cc2nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccccc4)cc3)c2CC1
InChIInChI=1S/C41H27N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-32-13-5-8-16-35(32)43-41(44-38)30-24-22-29(23-25-30)39-40-37(31-12-4-7-15-34(31)42-39)33-14-6-9-17-36(33)45-40/h1-4,6-12,14-25H,5,13H2
InChIKeyVWOWFCRSIUJCLU-UHFFFAOYSA-N
XLogP10.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline with MolForge

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Related Compounds

6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 163472733
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,4-diphenylfuro[2,3-c]quinoline
CID 164716769
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylfuro[2,3-c]quinoline
CID 164716664
6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
6-[4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155019029
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163548746

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 170116532) is 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline is C1=Cc2nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccccc4)cc3)c2CC1.
What is the InChIKey of 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is VWOWFCRSIUJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)38-32-13-5-8-16-35(32)43-41(44-38)30-24-22-29(23-25-30)39-40-37(31-12-4-7-15-34(31)42-39)33-14-6-9-17-36(33)45-40/h1-4,6-12,14-25H,5,13H2.
What are the key properties of 6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?
6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 577.69 g/mol, XLogP of 10.55, 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)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 170116532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).