2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline

C36H22N2O — CID 155473823

IUPAC2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5cc6oc7ccccc7c6cc45)c3)nc3ccccc23)cc1
InChIInChI=1S/C36H22N2O/c1-2-10-23(11-3-1)35-29-16-4-6-18-32(29)37-36(38-35)26-14-8-12-24(20-26)27-17-9-13-25-21-34-31(22-30(25)27)28-15-5-7-19-33(28)39-34/h1-22H
InChIKeyUOXCQDFUZWSHKP-UHFFFAOYSA-N
MW498.59 g/mol
LogP9.68
Rot. Bonds3

About 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline

2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline (PubChem CID 155473823) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline
PubChem CID155473823
Molecular FormulaC36H22N2O
Molecular Weight498.59 g/mol
Exact Mass498.17
IUPAC Name2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5cc6oc7ccccc7c6cc45)c3)nc3ccccc23)cc1
InChIInChI=1S/C36H22N2O/c1-2-10-23(11-3-1)35-29-16-4-6-18-32(29)37-36(38-35)26-14-8-12-24(20-26)27-17-9-13-25-21-34-31(22-30(25)27)28-15-5-7-19-33(28)39-34/h1-22H
InChIKeyUOXCQDFUZWSHKP-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

2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-dibenzofuran-1-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazine
CID 177112850
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
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
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
CID 154947939
2-naphthalen-2-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 177119688
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-17-yl)-4,6-diphenyl-1,3,5-triazine
CID 169053287
14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122782
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581603

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline?
The IUPAC name of 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline (CID 155473823) is 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline.
What is the SMILES notation for 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline?
The canonical SMILES for 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline is c1ccc(-c2nc(-c3cccc(-c4cccc5cc6oc7ccccc7c6cc45)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline?
The InChIKey is UOXCQDFUZWSHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c1-2-10-23(11-3-1)35-29-16-4-6-18-32(29)37-36(38-35)26-14-8-12-24(20-26)27-17-9-13-25-21-34-31(22-30(25)27)28-15-5-7-19-33(28)39-34/h1-22H.
What are the key properties of 2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline?
2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline 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-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline is sourced from PubChem (CID 155473823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).