3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

C58H34 — CID 153419758

About 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 153419758) has the molecular formula C58H34 and a molecular weight of 730.91 g/mol. Its IUPAC name is 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

• Compound Name: 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
• PubChem CID: 153419758
• Molecular Formula: C58H34
• Molecular Weight: 730.91 g/mol
• Exact Mass: 730.27
• IUPAC Name: 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
• SMILES: c1ccc(-c2ccc3cc(-c4ccc5c6c(-c7ccccc7)c7cc8c9ccccc9c9cccc(c7c(-c7ccccc7)c6c6cccc4c56)c98)ccc3c2)cc1
• InChI: InChI=1S/C58H34/c1-4-14-35(15-5-1)38-26-27-40-33-41(29-28-39(40)32-38)42-30-31-49-54-45(42)22-12-25-48(54)58-53(37-18-8-3-9-19-37)56-47-24-13-23-46-43-20-10-11-21-44(43)50(55(46)47)34-51(56)52(57(49)58)36-16-6-2-7-17-36/h1-34H
• InChIKey: OAMKOKAHTIAHCK-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.91
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The IUPAC name of 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (CID 153419758) is 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.

What is the SMILES notation for 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The canonical SMILES for 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is c1ccc(-c2ccc3cc(-c4ccc5c6c(-c7ccccc7)c7cc8c9ccccc9c9cccc(c7c(-c7ccccc7)c6c6cccc4c56)c98)ccc3c2)cc1.

What is the InChIKey of 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The InChIKey is OAMKOKAHTIAHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34/c1-4-14-35(15-5-1)38-26-27-40-33-41(29-28-39(40)32-38)42-30-31-49-54-45(42)22-12-25-48(54)58-53(37-18-8-3-9-19-37)56-47-24-13-23-46-43-20-10-11-21-44(43)50(55(46)47)34-51(56)52(57(49)58)36-16-6-2-7-17-36/h1-34H.

What are the key properties of 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 730.91 g/mol, XLogP of 16.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 153419758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).