20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]

C59H34 — CID 140962797

About 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]

20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene] (PubChem CID 140962797) has the molecular formula C59H34 and a molecular weight of 742.92 g/mol. Its IUPAC name is 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene].

Molecular Properties

• Compound Name: 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]
• PubChem CID: 140962797
• Molecular Formula: C59H34
• Molecular Weight: 742.92 g/mol
• Exact Mass: 742.27
• IUPAC Name: 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]
• SMILES: c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C59H34/c1-2-15-39(44-32-33-50-41-17-4-3-16-40(41)47-24-13-25-48(44)55(47)50)37(14-1)35-28-30-38-36(34-35)29-31-52-56-49-22-7-5-18-42(49)43-19-6-8-23-51(43)58(56)59(57(38)52)53-26-11-9-20-45(53)46-21-10-12-27-54(46)59/h1-34H
• InChIKey: NZDDRLAWHJHVTL-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.92
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]?

The IUPAC name of 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene] (CID 140962797) is 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene].

What is the SMILES notation for 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]?

The canonical SMILES for 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene] is c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)c1.

What is the InChIKey of 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]?

The InChIKey is NZDDRLAWHJHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34/c1-2-15-39(44-32-33-50-41-17-4-3-16-40(41)47-24-13-25-48(44)55(47)50)37(14-1)35-28-30-38-36(34-35)29-31-52-56-49-22-7-5-18-42(49)43-19-6-8-23-51(43)58(56)59(57(38)52)53-26-11-9-20-45(53)46-21-10-12-27-54(46)59/h1-34H.

What are the key properties of 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]?

20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene] has a molecular weight of 742.92 g/mol, XLogP of 15.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 20'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene] is sourced from PubChem (CID 140962797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).