2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline

C36H22N2O — CID 176818481

IUPAC2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
SMILESc1ccc(-c2nc(-c3cc4c(oc5cccc(-c6ccccc6)c54)c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C36H22N2O/c1-3-12-23(13-4-1)25-19-11-21-32-33(25)30-22-29(26-16-7-8-17-27(26)35(30)39-32)34-28-18-9-10-20-31(28)37-36(38-34)24-14-5-2-6-15-24/h1-22H
InChIKeyLCSRAWCOTXIOQQ-UHFFFAOYSA-N
MW498.59 g/mol
LogP9.68
Rot. Bonds3

About 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline

2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline (PubChem CID 176818481) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline.

Molecular Properties

Compound Name2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
PubChem CID176818481
Molecular FormulaC36H22N2O
Molecular Weight498.59 g/mol
Exact Mass498.17
IUPAC Name2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
SMILESc1ccc(-c2nc(-c3cc4c(oc5cccc(-c6ccccc6)c54)c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C36H22N2O/c1-3-12-23(13-4-1)25-19-11-21-32-33(25)30-22-29(26-16-7-8-17-27(26)35(30)39-32)34-28-18-9-10-20-31(28)37-36(38-34)24-14-5-2-6-15-24/h1-22H
InChIKeyLCSRAWCOTXIOQQ-UHFFFAOYSA-N
XLogP9.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]-2-phenylquinazoline
CID 169048979
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
4-naphthalen-2-yl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)quinazoline
CID 176817603
2,4-diphenyl-6-[4-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834896
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272
2-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046
2-phenanthren-9-yl-4-phenyl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818333
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485
2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 169048730

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline?
The IUPAC name of 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline (CID 176818481) is 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline.
What is the SMILES notation for 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline?
The canonical SMILES for 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline is c1ccc(-c2nc(-c3cc4c(oc5cccc(-c6ccccc6)c54)c4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline?
The InChIKey is LCSRAWCOTXIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c1-3-12-23(13-4-1)25-19-11-21-32-33(25)30-22-29(26-16-7-8-17-27(26)35(30)39-32)34-28-18-9-10-20-31(28)37-36(38-34)24-14-5-2-6-15-24/h1-22H.
What are the key properties of 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline?
2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline has a molecular weight of 498.59 g/mol, XLogP of 9.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline is sourced from PubChem (CID 176818481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).