20'-(10-naphthalen-2-ylanthracen-9-yl)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]

C61H36 — CID 140962197

About 20'-(10-naphthalen-2-ylanthracen-9-yl)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'-(10-naphthalen-2-ylanthracen-9-yl)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 140962197) has the molecular formula C61H36 and a molecular weight of 768.96 g/mol. Its IUPAC name is 20'-(10-naphthalen-2-ylanthracen-9-yl)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'-(10-naphthalen-2-ylanthracen-9-yl)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: 140962197
• Molecular Formula: C61H36
• Molecular Weight: 768.96 g/mol
• Exact Mass: 768.28
• IUPAC Name: 20'-(10-naphthalen-2-ylanthracen-9-yl)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: c1ccc2c(c1)-c1ccccc1C21c2c(ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc23)-c2c1c1ccccc1c1ccccc21
• InChI: InChI=1S/C61H36/c1-2-16-38-35-40(30-29-37(38)15-1)56-48-22-6-8-24-50(48)57(51-25-9-7-23-49(51)56)41-32-33-42-39(36-41)31-34-53-58-47-21-5-3-17-43(47)44-18-4-10-26-52(44)60(58)61(59(42)53)54-27-13-11-19-45(54)46-20-12-14-28-55(46)61/h1-36H
• InChIKey: VIUWGWMRNJMBDS-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.96
LogP ≤ 5	16.28
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 20'-(10-naphthalen-2-ylanthracen-9-yl)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'-(10-naphthalen-2-ylanthracen-9-yl)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 140962197) is 20'-(10-naphthalen-2-ylanthracen-9-yl)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'-(10-naphthalen-2-ylanthracen-9-yl)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'-(10-naphthalen-2-ylanthracen-9-yl)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 c1ccc2c(c1)-c1ccccc1C21c2c(ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc23)-c2c1c1ccccc1c1ccccc21.

What is the InChIKey of 20'-(10-naphthalen-2-ylanthracen-9-yl)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 VIUWGWMRNJMBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36/c1-2-16-38-35-40(30-29-37(38)15-1)56-48-22-6-8-24-50(48)57(51-25-9-7-23-49(51)56)41-32-33-42-39(36-41)31-34-53-58-47-21-5-3-17-43(47)44-18-4-10-26-52(44)60(58)61(59(42)53)54-27-13-11-19-45(54)46-20-12-14-28-55(46)61/h1-36H.

What are the key properties of 20'-(10-naphthalen-2-ylanthracen-9-yl)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'-(10-naphthalen-2-ylanthracen-9-yl)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 768.96 g/mol, XLogP of 16.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 20'-(10-naphthalen-2-ylanthracen-9-yl)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 140962197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).