25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]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 140725639

About 25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]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-[4-(10-phenylanthracen-9-yl)phenyl]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 140725639) has the molecular formula C63H40 and a molecular weight of 797.01 g/mol. Its IUPAC name is 25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]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-[4-(10-phenylanthracen-9-yl)phenyl]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: 140725639
• Molecular Formula: C63H40
• Molecular Weight: 797.01 g/mol
• Exact Mass: 796.31
• IUPAC Name: 25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]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(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6c(cc5c4)C(c4ccccc4)(c4ccccc4)c4c-6c5ccccc5c5ccccc45)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C63H40/c1-4-18-42(19-5-1)59-52-27-13-15-29-54(52)60(55-30-16-14-28-53(55)59)43-34-32-41(33-35-43)44-36-37-45-39-57-58(40-46(45)38-44)63(47-20-6-2-7-21-47,48-22-8-3-9-23-48)62-56-31-17-11-25-50(56)49-24-10-12-26-51(49)61(57)62/h1-40H
• InChIKey: OHWOSRHGRQPSIO-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-[4-(10-phenylanthracen-9-yl)phenyl]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-[4-(10-phenylanthracen-9-yl)phenyl]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 140725639) is 25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]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-[4-(10-phenylanthracen-9-yl)phenyl]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-[4-(10-phenylanthracen-9-yl)phenyl]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(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6c(cc5c4)C(c4ccccc4)(c4ccccc4)c4c-6c5ccccc5c5ccccc45)cc3)c3ccccc23)cc1.

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

What are the key properties of 25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]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-[4-(10-phenylanthracen-9-yl)phenyl]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-[4-(10-phenylanthracen-9-yl)phenyl]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 140725639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).