2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline

C42H26N2O — CID 142293844

IUPAC2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C42H26N2O/c1-2-10-27(11-3-1)41-36-18-6-7-19-38(36)43-42(44-41)34-17-9-16-30(23-34)28-14-8-15-29(22-28)33-20-21-35-37-24-31-12-4-5-13-32(31)25-40(37)45-39(35)26-33/h1-26H
InChIKeyZAAPVFMKINXUPT-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline

2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline (PubChem CID 142293844) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
PubChem CID142293844
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C42H26N2O/c1-2-10-27(11-3-1)41-36-18-6-7-19-38(36)43-42(44-41)34-17-9-16-30(23-34)28-14-8-15-29(22-28)33-20-21-35-37-24-31-12-4-5-13-32(31)25-40(37)45-39(35)26-33/h1-26H
InChIKeyZAAPVFMKINXUPT-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline
CID 155473823
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
2-naphthalen-2-yl-4-(6-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 146919730
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline?
The IUPAC name of 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline (CID 142293844) is 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline?
The canonical SMILES for 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c(c5)oc5cc7ccccc7cc56)c4)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline?
The InChIKey is ZAAPVFMKINXUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-10-27(11-3-1)41-36-18-6-7-19-38(36)43-42(44-41)34-17-9-16-30(23-34)28-14-8-15-29(22-28)33-20-21-35-37-24-31-12-4-5-13-32(31)25-40(37)45-39(35)26-33/h1-26H.
What are the key properties of 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline?
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline is sourced from PubChem (CID 142293844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).