4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline

C42H26N2O — CID 155326547

IUPAC4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccc7c8ccccc8oc7c56)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C42H26N2O/c1-2-9-27(10-3-1)28-17-23-32(24-18-28)42-43-37-15-6-4-13-36(37)40(44-42)31-21-19-29(20-22-31)33-14-8-11-30-25-26-35-34-12-5-7-16-38(34)45-41(35)39(30)33/h1-26H
InChIKeyVVHCZNXTBJIXNO-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline

4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline (PubChem CID 155326547) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
PubChem CID155326547
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccc7c8ccccc8oc7c56)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C42H26N2O/c1-2-9-27(10-3-1)28-17-23-32(24-18-28)42-43-37-15-6-4-13-36(37)40(44-42)31-21-19-29(20-22-31)33-14-8-11-30-25-26-35-34-12-5-7-16-38(34)45-41(35)39(30)33/h1-26H
InChIKeyVVHCZNXTBJIXNO-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-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
2-(3,4-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-ylquinazoline
CID 155326617
2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169048923
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
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
14-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124541
2-naphtho[1,2-b][1]benzofuran-1-yl-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 163623403
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
2-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-4-(4-phenylphenyl)quinazoline
CID 171051285
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline?
The IUPAC name of 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline (CID 155326547) is 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline?
The canonical SMILES for 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccc7c8ccccc8oc7c56)cc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline?
The InChIKey is VVHCZNXTBJIXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-9-27(10-3-1)28-17-23-32(24-18-28)42-43-37-15-6-4-13-36(37)40(44-42)31-21-19-29(20-22-31)33-14-8-11-30-25-26-35-34-12-5-7-16-38(34)45-41(35)39(30)33/h1-26H.
What are the key properties of 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline?
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline 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 4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 155326547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).