2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine

C64H41N3 — CID 153287655

About 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine (PubChem CID 153287655) has the molecular formula C64H41N3 and a molecular weight of 852.05 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
• PubChem CID: 153287655
• Molecular Formula: C64H41N3
• Molecular Weight: 852.05 g/mol
• Exact Mass: 851.33
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C64H41N3/c1-4-20-42(21-5-1)46-38-47(43-22-6-2-7-23-43)40-48(39-46)62-65-61(66-63(67-62)55-32-13-10-26-49(55)44-24-8-3-9-25-44)45-36-37-60-56(41-45)51-28-12-11-27-50(51)52-29-14-17-33-57(52)64(60)58-34-18-15-30-53(58)54-31-16-19-35-59(54)64/h1-41H
• InChIKey: KFWCXDIJDVWMKW-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.05
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine?

The IUPAC name of 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine (CID 153287655) is 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine?

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine?

The InChIKey is KFWCXDIJDVWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3/c1-4-20-42(21-5-1)46-38-47(43-22-6-2-7-23-43)40-48(39-46)62-65-61(66-63(67-62)55-32-13-10-26-49(55)44-24-8-3-9-25-44)45-36-37-60-56(41-45)51-28-12-11-27-50(51)52-29-14-17-33-57(52)64(60)58-34-18-15-30-53(58)54-31-16-19-35-59(54)64/h1-41H.

What are the key properties of 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine?

2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine has a molecular weight of 852.05 g/mol, XLogP of 15.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine is sourced from PubChem (CID 153287655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).