5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]

C55H32 — CID 140962396

About 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]

5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene] (PubChem CID 140962396) has the molecular formula C55H32 and a molecular weight of 692.86 g/mol. Its IUPAC name is 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene].

Molecular Properties

• Compound Name: 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]
• PubChem CID: 140962396
• Molecular Formula: C55H32
• Molecular Weight: 692.86 g/mol
• Exact Mass: 692.25
• IUPAC Name: 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2c1c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1c1ccccc21
• InChI: InChI=1S/C55H32/c1-2-14-34-32-52-49(31-33(34)13-1)53-45-22-8-7-19-41(45)48-30-36(35-25-27-42-39-17-4-3-15-37(39)38-16-5-6-18-40(38)47(42)29-35)26-28-46(48)54(53)55(52)50-23-11-9-20-43(50)44-21-10-12-24-51(44)55/h1-32H
• InChIKey: KCKQQQWOGPAZRM-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.86
LogP ≤ 5	14.62
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'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]?

The IUPAC name of 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene] (CID 140962396) is 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene].

What is the SMILES notation for 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]?

The canonical SMILES for 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene] is c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2c1c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1c1ccccc21.

What is the InChIKey of 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]?

The InChIKey is KCKQQQWOGPAZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32/c1-2-14-34-32-52-49(31-33(34)13-1)53-45-22-8-7-19-41(45)48-30-36(35-25-27-42-39-17-4-3-15-37(39)38-16-5-6-18-40(38)47(42)29-35)26-28-46(48)54(53)55(52)50-23-11-9-20-43(50)44-21-10-12-24-51(44)55/h1-32H.

What are the key properties of 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]?

5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene] has a molecular weight of 692.86 g/mol, XLogP of 14.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene] is sourced from PubChem (CID 140962396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).