17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C67H42 — CID 140725919

About 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 140725919) has the molecular formula C67H42 and a molecular weight of 847.07 g/mol. Its IUPAC name is 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• PubChem CID: 140725919
• Molecular Formula: C67H42
• Molecular Weight: 847.07 g/mol
• Exact Mass: 846.33
• IUPAC Name: 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• SMILES: c1ccc(C2(c3ccccc3)c3c(cc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)c4ccccc34)-c3c2c2ccccc2c2ccccc32)cc1
• InChI: InChI=1S/C67H42/c1-3-24-48(25-4-1)67(49-26-5-2-6-27-49)65-58-36-17-11-30-52(58)60(42-61(65)64-53-31-12-9-28-50(53)51-29-10-18-37-59(51)66(64)67)63-56-34-15-13-32-54(56)62(55-33-14-16-35-57(55)63)47-23-19-22-45(41-47)46-39-38-43-20-7-8-21-44(43)40-46/h1-42H
• InChIKey: DCFAEFWHCYAKCC-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.07
LogP ≤ 5	17.97
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 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The IUPAC name of 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 140725919) is 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

What is the SMILES notation for 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The canonical SMILES for 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is c1ccc(C2(c3ccccc3)c3c(cc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)c4ccccc34)-c3c2c2ccccc2c2ccccc32)cc1.

What is the InChIKey of 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The InChIKey is DCFAEFWHCYAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42/c1-3-24-48(25-4-1)67(49-26-5-2-6-27-49)65-58-36-17-11-30-52(58)60(42-61(65)64-53-31-12-9-28-50(53)51-29-10-18-37-59(51)66(64)67)63-56-34-15-13-32-54(56)62(55-33-14-16-35-57(55)63)47-23-19-22-45(41-47)46-39-38-43-20-7-8-21-44(43)40-46/h1-42H.

What are the key properties of 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 847.07 g/mol, XLogP of 17.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 140725919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).