4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine

C63H38N2 — CID 137494228

About 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine

4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine (PubChem CID 137494228) has the molecular formula C63H38N2 and a molecular weight of 823.01 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine
• PubChem CID: 137494228
• Molecular Formula: C63H38N2
• Molecular Weight: 823.01 g/mol
• Exact Mass: 822.30
• IUPAC Name: 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(c5ccccc5c5ccccc45)C64c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C63H38N2/c1-2-15-42(16-3-1)62-64-57(38-58(65-62)46-31-28-39-14-4-5-17-43(39)37-46)41-29-26-40(27-30-41)44-32-34-47-45(36-44)33-35-54-59-52-22-8-6-18-48(52)49-19-7-9-23-53(49)61(59)63(60(47)54)55-24-12-10-20-50(55)51-21-11-13-25-56(51)63/h1-38H
• InChIKey: FHSQPTRLHSZWMN-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.01
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine?

The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine (CID 137494228) is 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine.

What is the SMILES notation for 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine?

The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4c(c5ccccc5c5ccccc45)C64c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.

What is the InChIKey of 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine?

The InChIKey is FHSQPTRLHSZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2/c1-2-15-42(16-3-1)62-64-57(38-58(65-62)46-31-28-39-14-4-5-17-43(39)37-46)41-29-26-40(27-30-41)44-32-34-47-45(36-44)33-35-54-59-52-22-8-6-18-48(52)49-19-7-9-23-53(49)61(59)63(60(47)54)55-24-12-10-20-50(55)51-21-11-13-25-56(51)63/h1-38H.

What are the key properties of 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine?

4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine has a molecular weight of 823.01 g/mol, XLogP of 16.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-2-yl-2-phenyl-6-(4-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'-ylphenyl)pyrimidine is sourced from PubChem (CID 137494228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).