8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran

C58H34O — CID 138664837

About 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran

8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 138664837) has the molecular formula C58H34O and a molecular weight of 746.91 g/mol. Its IUPAC name is 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 138664837
• Molecular Formula: C58H34O
• Molecular Weight: 746.91 g/mol
• Exact Mass: 746.26
• IUPAC Name: 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5ccc(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc56)cc4c4ccccc4c32)cc1
• InChI: InChI=1S/C58H34O/c1-2-12-35(13-3-1)37-23-26-49-52(32-37)45-18-8-10-20-47(45)57-50-27-24-38(33-53(50)46-19-9-11-21-48(46)56(49)57)40-29-30-41(44-17-7-6-16-43(40)44)39-25-31-55-54(34-39)51-28-22-36-14-4-5-15-42(36)58(51)59-55/h1-34H
• InChIKey: FBKTUXUMMOAKFV-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.91
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran (CID 138664837) is 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5ccc(-c6ccc7oc8c9ccccc9ccc8c7c6)c6ccccc56)cc4c4ccccc4c32)cc1.

What is the InChIKey of 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is FBKTUXUMMOAKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O/c1-2-12-35(13-3-1)37-23-26-49-52(32-37)45-18-8-10-20-47(45)57-50-27-24-38(33-53(50)46-19-9-11-21-48(46)56(49)57)40-29-30-41(44-17-7-6-16-43(40)44)39-25-31-55-54(34-39)51-28-22-36-14-4-5-15-42(36)58(51)59-55/h1-34H.

What are the key properties of 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?

8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 746.91 g/mol, XLogP of 16.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 138664837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).