5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]

C59H34 — CID 140962963

About 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]

5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] (PubChem CID 140962963) has the molecular formula C59H34 and a molecular weight of 742.92 g/mol. Its IUPAC name is 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene].

Molecular Properties

• Compound Name: 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
• PubChem CID: 140962963
• Molecular Formula: C59H34
• Molecular Weight: 742.92 g/mol
• Exact Mass: 742.27
• IUPAC Name: 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
• SMILES: c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)c1
• InChI: InChI=1S/C59H34/c1-2-16-38-35(14-1)28-31-51-56-48-23-8-7-20-42(48)52-34-36(29-30-50(52)58(56)59(57(38)51)53-26-11-9-21-44(53)45-22-10-12-27-54(45)59)37-15-3-4-17-39(37)43-32-33-49-41-19-6-5-18-40(41)46-24-13-25-47(43)55(46)49/h1-34H
• InChIKey: YZFYJCDHSHULHC-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 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

The IUPAC name of 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] (CID 140962963) is 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene].

What is the SMILES notation for 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

The canonical SMILES for 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] is c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)c1.

What is the InChIKey of 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

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

What are the key properties of 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-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 5'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] is sourced from PubChem (CID 140962963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).