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

C₁₃₂H₇₈N₈O₂S₂ — CID 165009597

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

2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline (PubChem CID 165009597) has the molecular formula C₁₃₂H₇₈N₈O₂S₂ and a molecular weight of 1872.26 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline.

Molecular Properties

• Compound Name: 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline
• PubChem CID: 165009597
• Molecular Formula: C₁₃₂H₇₈N₈O₂S₂
• Molecular Weight: 1872.26 g/mol
• Exact Mass: 1870.57
• IUPAC Name: 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline
• SMILES: c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3ccc4ccccc4c23)cc1
• InChI: InChI=1S/C34H20N2O.2C34H20N2S.C30H18N2O/c1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)33-32-25-11-5-4-8-21(25)16-18-28(32)35-34(36-33)24-15-14-22-17-19-30-31(27(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-8-20(9-3-1)29-22-10-4-6-12-25(22)31-30(32-29)21-15-14-19-16-17-27-28(24(19)18-21)23-11-5-7-13-26(23)33-27/h3*1-20H;1-18H
• InChIKey: JMMMKNGMOTTXAI-UHFFFAOYSA-N
• XLogP: 36.46
• TPSA: 129.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.26
LogP ≤ 5	36.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline (CID 165009597) is 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline.

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

The canonical SMILES for 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3ccc4ccccc4c23)cc1.

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

The InChIKey is JMMMKNGMOTTXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O.2C34H20N2S.C30H18N2O/c1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)33-32-25-11-5-4-8-21(25)16-18-28(32)35-34(36-33)24-15-14-22-17-19-30-31(27(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-8-20(9-3-1)29-22-10-4-6-12-25(22)31-30(32-29)21-15-14-19-16-17-27-28(24(19)18-21)23-11-5-7-13-26(23)33-27/h3*1-20H;1-18H.

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

2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline has a molecular weight of 1872.26 g/mol, XLogP of 36.46, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 165009597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165009597 — identifiers, structure, computed properties (public domain)

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