35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene

C60H32 — CID 58927054

About 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene

35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene (PubChem CID 58927054) has the molecular formula C60H32 and a molecular weight of 752.92 g/mol. Its IUPAC name is 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene.

Molecular Properties

• Compound Name: 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene
• PubChem CID: 58927054
• Molecular Formula: C60H32
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.25
• IUPAC Name: 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6ccc7c8c9ccccc9ccc8c8cc9ccc%10cc(c23)c4c5c%10c9c6c87)cc1
• InChI: InChI=1S/C60H32/c1-3-13-33(14-4-1)38-18-9-10-20-40(38)54-42-22-12-11-21-41(42)50(35-16-5-2-6-17-35)59-47-30-28-44-43-27-29-46-53-39-19-8-7-15-34(39)25-26-45(53)48-31-36-23-24-37-32-49(60(54)59)56(47)58(44)52(37)51(36)57(43)55(46)48/h1-32H
• InChIKey: PAMFOMCOEAGWAM-UHFFFAOYSA-N
• XLogP: 17.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.92
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene?

The IUPAC name of 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene (CID 58927054) is 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene.

What is the SMILES notation for 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene?

The canonical SMILES for 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6ccc7c8c9ccccc9ccc8c8cc9ccc%10cc(c23)c4c5c%10c9c6c87)cc1.

What is the InChIKey of 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene?

The InChIKey is PAMFOMCOEAGWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32/c1-3-13-33(14-4-1)38-18-9-10-20-40(38)54-42-22-12-11-21-41(42)50(35-16-5-2-6-17-35)59-47-30-28-44-43-27-29-46-53-39-19-8-7-15-34(39)25-26-45(53)48-31-36-23-24-37-32-49(60(54)59)56(47)58(44)52(37)51(36)57(43)55(46)48/h1-32H.

What are the key properties of 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene?

35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene has a molecular weight of 752.92 g/mol, XLogP of 17.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 35-phenyl-28-(2-phenylphenyl)dodecacyclo[24.14.1.14,8.02,24.03,21.05,40.09,18.010,15.027,36.029,34.037,41.019,42]dotetraconta-1(40),2(24),3(21),4,6,8(42),9(18),10,12,14,16,19,22,25,27,29,31,33,35,37(41),38-henicosaene is sourced from PubChem (CID 58927054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).