8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene

C48H30 — CID 59642845

About 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene

8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene (PubChem CID 59642845) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene.

Molecular Properties

• Compound Name: 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
• PubChem CID: 59642845
• Molecular Formula: C48H30
• Molecular Weight: 606.77 g/mol
• Exact Mass: 606.23
• IUPAC Name: 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c4c5ccc(-c6ccccc6)c6cccc(c7cccc3c74)c65)c2)cc1
• InChI: InChI=1S/C48H30/c1-4-14-31(15-5-1)34-28-35(32-16-6-2-7-17-32)30-36(29-34)45-39-20-10-11-21-41(39)48-44-27-26-37(33-18-8-3-9-19-33)38-22-12-23-40(46(38)44)42-24-13-25-43(45)47(42)48/h1-30H
• InChIKey: ZCNVCXMNFJKFFC-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.77
LogP ≤ 5	13.56
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 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene?

The IUPAC name of 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene (CID 59642845) is 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene.

What is the SMILES notation for 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene?

The canonical SMILES for 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c4c5ccc(-c6ccccc6)c6cccc(c7cccc3c74)c65)c2)cc1.

What is the InChIKey of 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene?

The InChIKey is ZCNVCXMNFJKFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-4-14-31(15-5-1)34-28-35(32-16-6-2-7-17-32)30-36(29-34)45-39-20-10-11-21-41(39)48-44-27-26-37(33-18-8-3-9-19-33)38-22-12-23-40(46(38)44)42-24-13-25-43(45)47(42)48/h1-30H.

What are the key properties of 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene?

8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene has a molecular weight of 606.77 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene is sourced from PubChem (CID 59642845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).