3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline

C34H20N2O — CID 155474012

IUPAC3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4cc5oc6ccccc6c5cc4c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C34H20N2O/c1-2-9-22(10-3-1)33-32-26-11-5-4-8-21(26)16-17-29(32)35-34(36-33)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31/h1-20H
InChIKeyRQCJTEGWKBOZIE-UHFFFAOYSA-N
MW472.55 g/mol
LogP9.17
Rot. Bonds2

About 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline

3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline (PubChem CID 155474012) has the molecular formula C34H20N2O and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline.

Molecular Properties

Compound Name3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline
PubChem CID155474012
Molecular FormulaC34H20N2O
Molecular Weight472.55 g/mol
Exact Mass472.16
IUPAC Name3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4cc5oc6ccccc6c5cc4c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C34H20N2O/c1-2-9-22(10-3-1)33-32-26-11-5-4-8-21(26)16-17-29(32)35-34(36-33)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31/h1-20H
InChIKeyRQCJTEGWKBOZIE-UHFFFAOYSA-N
XLogP9.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline with MolForge

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Related Compounds

3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-5-yl)-1-phenylbenzo[f]quinazoline
CID 167698842
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208962
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
1-[4-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenylbenzo[f]quinazoline
CID 118529244
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 154614265
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891
2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
CID 155474090
2-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208954
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-naphthalen-2-yl-4-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 174316163

Frequently Asked Questions

What is the IUPAC name of 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline?
The IUPAC name of 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline (CID 155474012) is 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline.
What is the SMILES notation for 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline?
The canonical SMILES for 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline is c1ccc(-c2nc(-c3ccc4cc5oc6ccccc6c5cc4c3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline?
The InChIKey is RQCJTEGWKBOZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O/c1-2-9-22(10-3-1)33-32-26-11-5-4-8-21(26)16-17-29(32)35-34(36-33)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31/h1-20H.
What are the key properties of 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline?
3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline has a molecular weight of 472.55 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline is sourced from PubChem (CID 155474012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).