17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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

C70H46 — CID 140725787

About 17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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-(7,7-dimethylbenzo[c]fluoren-5-yl)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 140725787) has the molecular formula C70H46 and a molecular weight of 887.14 g/mol. Its IUPAC name is 17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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-(7,7-dimethylbenzo[c]fluoren-5-yl)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: 140725787
• Molecular Formula: C70H46
• Molecular Weight: 887.14 g/mol
• Exact Mass: 886.36
• IUPAC Name: 17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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: CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cc4c(c5ccccc35)C(c3ccccc3)(c3ccccc3)c3c-4c4ccccc4c4ccccc34)c3ccccc13)c1ccccc21
• InChI: InChI=1S/C70H46/c1-69(2)61-40-22-21-39-57(61)65-49-31-13-10-29-47(49)59(42-62(65)69)64-53-35-17-15-33-51(53)63(52-34-16-18-36-54(52)64)58-41-60-66-50-32-14-9-27-45(50)46-28-11-20-38-56(46)68(66)70(43-23-5-3-6-24-43,44-25-7-4-8-26-44)67(60)55-37-19-12-30-48(55)58/h3-42H,1-2H3
• InChIKey: GBSNIJNTADBVLD-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.14
LogP ≤ 5	18.61
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-(7,7-dimethylbenzo[c]fluoren-5-yl)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-(7,7-dimethylbenzo[c]fluoren-5-yl)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 140725787) is 17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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-(7,7-dimethylbenzo[c]fluoren-5-yl)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-(7,7-dimethylbenzo[c]fluoren-5-yl)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 CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cc4c(c5ccccc35)C(c3ccccc3)(c3ccccc3)c3c-4c4ccccc4c4ccccc34)c3ccccc13)c1ccccc21.

What is the InChIKey of 17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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 GBSNIJNTADBVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46/c1-69(2)61-40-22-21-39-57(61)65-49-31-13-10-29-47(49)59(42-62(65)69)64-53-35-17-15-33-51(53)63(52-34-16-18-36-54(52)64)58-41-60-66-50-32-14-9-27-45(50)46-28-11-20-38-56(46)68(66)70(43-23-5-3-6-24-43,44-25-7-4-8-26-44)67(60)55-37-19-12-30-48(55)58/h3-42H,1-2H3.

What are the key properties of 17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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-(7,7-dimethylbenzo[c]fluoren-5-yl)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 887.14 g/mol, XLogP of 18.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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 140725787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).