3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline

C196H116N12O3S3 — CID 158768602

About 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline

3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline (PubChem CID 158768602) has the molecular formula C196H116N12O3S3 and a molecular weight of 2783.37 g/mol. Its IUPAC name is 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline.

Molecular Properties

• Compound Name: 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline
• PubChem CID: 158768602
• Molecular Formula: C196H116N12O3S3
• Molecular Weight: 2783.37 g/mol
• Exact Mass: 2780.85
• IUPAC Name: 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline
• SMILES: c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6oc5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6oc5c4c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6oc5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6sc5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6sc5c4c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6sc5c4c3)nc3ccccc23)cc1
• InChI: InChI=1S/2C34H20N2O.2C34H20N2S.C30H18N2O.C30H18N2S/c1-2-9-23(10-3-1)32-31-25-11-5-4-8-21(25)17-19-29(31)35-34(36-32)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)28(22)20-24;1-2-9-23(10-3-1)31-28-19-17-21-8-4-5-11-25(21)32(28)36-34(35-31)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)29(22)20-24;1-2-9-23(10-3-1)32-31-25-11-5-4-8-21(25)17-19-29(31)35-34(36-32)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)28(22)20-24;1-2-9-23(10-3-1)31-28-19-17-21-8-4-5-11-25(21)32(28)36-34(35-31)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)29(22)20-24;2*1-2-8-20(9-3-1)28-24-11-4-6-12-26(24)31-30(32-28)21-15-14-19-16-17-23-22-10-5-7-13-27(22)33-29(23)25(19)18-21/h4*1-20H;2*1-18H
• InChIKey: IPOQFAITMYMCOR-UHFFFAOYSA-N
• XLogP: 54.12
• TPSA: 194.10 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.37
LogP ≤ 5	54.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline?

The IUPAC name of 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline (CID 158768602) is 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline.

What is the SMILES notation for 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline?

The canonical SMILES for 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6oc5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6oc5c4c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6oc5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6sc5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6sc5c4c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6ccccc6sc5c4c3)nc3ccccc23)cc1.

What is the InChIKey of 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline?

The InChIKey is IPOQFAITMYMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H20N2O.2C34H20N2S.C30H18N2O.C30H18N2S/c1-2-9-23(10-3-1)32-31-25-11-5-4-8-21(25)17-19-29(31)35-34(36-32)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)28(22)20-24;1-2-9-23(10-3-1)31-28-19-17-21-8-4-5-11-25(21)32(28)36-34(35-31)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)29(22)20-24;1-2-9-23(10-3-1)32-31-25-11-5-4-8-21(25)17-19-29(31)35-34(36-32)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)28(22)20-24;1-2-9-23(10-3-1)31-28-19-17-21-8-4-5-11-25(21)32(28)36-34(35-31)24-15-14-22-16-18-27-26-12-6-7-13-30(26)37-33(27)29(22)20-24;2*1-2-8-20(9-3-1)28-24-11-4-6-12-26(24)31-30(32-28)21-15-14-19-16-17-23-22-10-5-7-13-27(22)33-29(23)25(19)18-21/h4*1-20H;2*1-18H.

What are the key properties of 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline?

3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline has a molecular weight of 2783.37 g/mol, XLogP of 54.12, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline is sourced from PubChem (CID 158768602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).