9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole

C60H36N4 — CID 155278950

About 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole

9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 155278950) has the molecular formula C60H36N4 and a molecular weight of 812.98 g/mol. Its IUPAC name is 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 155278950
• Molecular Formula: C60H36N4
• Molecular Weight: 812.98 g/mol
• Exact Mass: 812.29
• IUPAC Name: 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5cccc6ccc7cccc4c7c56)cc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
• InChI: InChI=1S/C60H36N4/c1-3-13-40(14-4-1)57-61-58(63-59(62-57)43-31-33-47-46-20-8-10-24-53(46)64(54(47)36-43)44-17-5-2-6-18-44)41-29-25-37(26-30-41)42-32-34-50-48(35-42)45-19-7-9-21-49(45)60(50)51-22-11-15-38-27-28-39-16-12-23-52(60)56(39)55(38)51/h1-36H
• InChIKey: XDOZHBPLPVKPGA-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.98
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 155278950) is 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5cccc6ccc7cccc4c7c56)cc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.

What is the InChIKey of 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole?

The InChIKey is XDOZHBPLPVKPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4/c1-3-13-40(14-4-1)57-61-58(63-59(62-57)43-31-33-47-46-20-8-10-24-53(46)64(54(47)36-43)44-17-5-2-6-18-44)41-29-25-37(26-30-41)42-32-34-50-48(35-42)45-19-7-9-21-49(45)60(50)51-22-11-15-38-27-28-39-16-12-23-52(60)56(39)55(38)51/h1-36H.

What are the key properties of 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole?

9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 812.98 g/mol, XLogP of 14.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155278950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).