25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C63H40 — CID 140725798

About 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 140725798) has the molecular formula C63H40 and a molecular weight of 797.01 g/mol. Its IUPAC name is 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• PubChem CID: 140725798
• Molecular Formula: C63H40
• Molecular Weight: 797.01 g/mol
• Exact Mass: 796.31
• IUPAC Name: 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4cc5c(cc4c3)C(c3ccccc3)(c3ccccc3)c3c-5c4ccccc4c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C63H40/c1-4-20-41(21-5-1)47-26-10-13-29-50(47)60-54-33-17-15-31-52(54)59(53-32-16-18-34-55(53)60)43-37-36-42-39-57-58(40-44(42)38-43)63(45-22-6-2-7-23-45,46-24-8-3-9-25-46)62-56-35-19-12-28-49(56)48-27-11-14-30-51(48)61(57)62/h1-40H
• InChIKey: NRIAZOVYWAEEPM-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.01
LogP ≤ 5	16.82
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 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The IUPAC name of 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 140725798) is 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

What is the SMILES notation for 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The canonical SMILES for 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4cc5c(cc4c3)C(c3ccccc3)(c3ccccc3)c3c-5c4ccccc4c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The InChIKey is NRIAZOVYWAEEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40/c1-4-20-41(21-5-1)47-26-10-13-29-50(47)60-54-33-17-15-31-52(54)59(53-32-16-18-34-55(53)60)43-37-36-42-39-57-58(40-44(42)38-43)63(45-22-6-2-7-23-45,46-24-8-3-9-25-46)62-56-35-19-12-28-49(56)48-27-11-14-30-51(48)61(57)62/h1-40H.

What are the key properties of 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 797.01 g/mol, XLogP of 16.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 25,25-diphenyl-20-[10-(2-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 140725798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).