19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]

C55H34 — CID 158550157

About 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]

19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene] (PubChem CID 158550157) has the molecular formula C55H34 and a molecular weight of 694.88 g/mol. Its IUPAC name is 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene].

Molecular Properties

• Compound Name: 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
• PubChem CID: 158550157
• Molecular Formula: C55H34
• Molecular Weight: 694.88 g/mol
• Exact Mass: 694.27
• IUPAC Name: 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc5c6ccccc6c6ccccc6c5cc3C43c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C55H34/c1-3-15-35(16-4-1)38-29-39(36-17-5-2-6-18-36)31-40(30-38)37-27-28-53-49(32-37)50-33-47-43-21-9-7-19-41(43)42-20-8-10-22-44(42)48(47)34-54(50)55(53)51-25-13-11-23-45(51)46-24-12-14-26-52(46)55/h1-34H
• InChIKey: HPPPZQUHHNDHBR-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.88
LogP ≤ 5	14.49
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 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]?

The IUPAC name of 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene] (CID 158550157) is 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene].

What is the SMILES notation for 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]?

The canonical SMILES for 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene] is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc5c6ccccc6c6ccccc6c5cc3C43c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]?

The InChIKey is HPPPZQUHHNDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34/c1-3-15-35(16-4-1)38-29-39(36-17-5-2-6-18-36)31-40(30-38)37-27-28-53-49(32-37)50-33-47-43-21-9-7-19-41(43)42-20-8-10-22-44(42)48(47)34-54(50)55(53)51-25-13-11-23-45(51)46-24-12-14-26-52(46)55/h1-34H.

What are the key properties of 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]?

19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene] has a molecular weight of 694.88 g/mol, XLogP of 14.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene] is sourced from PubChem (CID 158550157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).