10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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

C62H40 — CID 58068175

About 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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

10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 58068175) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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: 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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: 58068175
• Molecular Formula: C62H40
• Molecular Weight: 785.00 g/mol
• Exact Mass: 784.31
• IUPAC Name: 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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: Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4-c4ccccc4)c3c3cccc1c23)c65
• InChI: InChI=1S/C62H40/c1-37-18-15-19-38(2)55(37)49-34-35-52-56-48(49)31-17-33-51(56)62-60(46-29-14-10-25-42(46)40-22-7-4-8-23-40)59-50-32-16-30-47-43-26-11-12-27-44(43)53(57(47)50)36-54(59)58(61(52)62)45-28-13-9-24-41(45)39-20-5-3-6-21-39/h3-36H,1-2H3
• InChIKey: KXDJVYYJXWEHQW-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.00
LogP ≤ 5	17.59
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 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 58068175) is 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4-c4ccccc4)c3c3cccc1c23)c65.

What is the InChIKey of 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 KXDJVYYJXWEHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-37-18-15-19-38(2)55(37)49-34-35-52-56-48(49)31-17-33-51(56)62-60(46-29-14-10-25-42(46)40-22-7-4-8-23-40)59-50-32-16-30-47-43-26-11-12-27-44(43)53(57(47)50)36-54(59)58(61(52)62)45-28-13-9-24-41(45)39-20-5-3-6-21-39/h3-36H,1-2H3.

What are the key properties of 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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?

10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 785.00 g/mol, XLogP of 17.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)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 58068175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).