6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran

C101H76O5 — CID 159180375

About 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran

6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran (PubChem CID 159180375) has the molecular formula C101H76O5 and a molecular weight of 1369.71 g/mol. Its IUPAC name is 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran
• PubChem CID: 159180375
• Molecular Formula: C101H76O5
• Molecular Weight: 1369.71 g/mol
• Exact Mass: 1368.57
• IUPAC Name: 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran
• SMILES: Cc1ccc2oc3c(-c4ccccc4)cc4ccccc4c3c2c1.Cc1ccc2oc3c(C4CCCCC4)cc4ccccc4c3c2c1.Cc1ccc2oc3c4ccccc4c4ccccc4c3c2c1.Cc1ccc2oc3c4ccccc4ccc3c2c1.Cc1ccc2oc3cc4ccccc4cc3c2c1
• InChI: InChI=1S/C23H22O.C23H16O.C21H14O.2C17H12O/c2*1-15-11-12-21-20(13-15)22-18-10-6-5-9-17(18)14-19(23(22)24-21)16-7-3-2-4-8-16;1-13-10-11-19-18(12-13)20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21(20)22-19;1-11-6-9-16-15(10-11)14-8-7-12-4-2-3-5-13(12)17(14)18-16;1-11-6-7-16-14(8-11)15-9-12-4-2-3-5-13(12)10-17(15)18-16/h5-6,9-14,16H,2-4,7-8H2,1H3;2-14H,1H3;2-12H,1H3;2*2-10H,1H3
• InChIKey: KMURHUTVQBUYFW-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 65.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.71
LogP ≤ 5	30.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran?

The IUPAC name of 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran (CID 159180375) is 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran?

The canonical SMILES for 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran is Cc1ccc2oc3c(-c4ccccc4)cc4ccccc4c3c2c1.Cc1ccc2oc3c(C4CCCCC4)cc4ccccc4c3c2c1.Cc1ccc2oc3c4ccccc4c4ccccc4c3c2c1.Cc1ccc2oc3c4ccccc4ccc3c2c1.Cc1ccc2oc3cc4ccccc4cc3c2c1.

What is the InChIKey of 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran?

The InChIKey is KMURHUTVQBUYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O.C23H16O.C21H14O.2C17H12O/c2*1-15-11-12-21-20(13-15)22-18-10-6-5-9-17(18)14-19(23(22)24-21)16-7-3-2-4-8-16;1-13-10-11-19-18(12-13)20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21(20)22-19;1-11-6-9-16-15(10-11)14-8-7-12-4-2-3-5-13(12)17(14)18-16;1-11-6-7-16-14(8-11)15-9-12-4-2-3-5-13(12)10-17(15)18-16/h5-6,9-14,16H,2-4,7-8H2,1H3;2-14H,1H3;2-12H,1H3;2*2-10H,1H3.

What are the key properties of 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran?

6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran has a molecular weight of 1369.71 g/mol, XLogP of 30.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 159180375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).