20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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]

C67H40 — CID 140962829

About 20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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-(4-naphthalen-2-ylphenyl)anthracen-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 140962829) has the molecular formula C67H40 and a molecular weight of 845.06 g/mol. Its IUPAC name is 20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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-(4-naphthalen-2-ylphenyl)anthracen-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: 140962829
• Molecular Formula: C67H40
• Molecular Weight: 845.06 g/mol
• Exact Mass: 844.31
• IUPAC Name: 20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)ccc23)-c2c1c1ccccc1c1ccccc21
• InChI: InChI=1S/C67H40/c1-2-16-44-39-45(34-31-41(44)15-1)42-29-32-43(33-30-42)62-54-22-6-8-24-56(54)63(57-25-9-7-23-55(57)62)47-36-37-48-46(40-47)35-38-59-64-53-21-5-3-17-49(53)50-18-4-10-26-58(50)66(64)67(65(48)59)60-27-13-11-19-51(60)52-20-12-14-28-61(52)67/h1-40H
• InChIKey: KZAFHHMNKZMNAW-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.06
LogP ≤ 5	17.95
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-(4-naphthalen-2-ylphenyl)anthracen-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-(4-naphthalen-2-ylphenyl)anthracen-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 140962829) is 20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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-(4-naphthalen-2-ylphenyl)anthracen-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-(4-naphthalen-2-ylphenyl)anthracen-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(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)ccc23)-c2c1c1ccccc1c1ccccc21.

What is the InChIKey of 20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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 KZAFHHMNKZMNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40/c1-2-16-44-39-45(34-31-41(44)15-1)42-29-32-43(33-30-42)62-54-22-6-8-24-56(54)63(57-25-9-7-23-55(57)62)47-36-37-48-46(40-47)35-38-59-64-53-21-5-3-17-49(53)50-18-4-10-26-58(50)66(64)67(65(48)59)60-27-13-11-19-51(60)52-20-12-14-28-61(52)67/h1-40H.

What are the key properties of 20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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-(4-naphthalen-2-ylphenyl)anthracen-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 845.06 g/mol, XLogP of 17.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 20'-[10-(4-naphthalen-2-ylphenyl)anthracen-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 140962829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).