5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C58H36N4 — CID 142481757

About 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 142481757) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 142481757
• Molecular Formula: C58H36N4
• Molecular Weight: 788.95 g/mol
• Exact Mass: 788.29
• IUPAC Name: 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1
• InChI: InChI=1S/C58H36N4/c1-4-16-37(17-5-1)38-30-32-39(33-31-38)42-34-35-47-46(36-42)53-45(57-60-55(40-18-6-2-7-19-40)59-56(61-57)41-20-8-3-9-21-41)24-15-26-49(53)58(47)48-25-11-13-29-52(48)62-51-28-12-10-22-43(51)44-23-14-27-50(58)54(44)62/h1-36H
• InChIKey: YJKUFUJTARYOHB-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.95
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 142481757) is 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.

What is the InChIKey of 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is YJKUFUJTARYOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-4-16-37(17-5-1)38-30-32-39(33-31-38)42-34-35-47-46(36-42)53-45(57-60-55(40-18-6-2-7-19-40)59-56(61-57)41-20-8-3-9-21-41)24-15-26-49(53)58(47)48-25-11-13-29-52(48)62-51-28-12-10-22-43(51)44-23-14-27-50(58)54(44)62/h1-36H.

What are the key properties of 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 788.95 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 142481757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).