10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]

C52H33N5 — CID 66804868

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] (PubChem CID 66804868) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene].

Molecular Properties

• Compound Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
• PubChem CID: 66804868
• Molecular Formula: C52H33N5
• Molecular Weight: 727.87 g/mol
• Exact Mass: 727.27
• IUPAC Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3N5c3ccccc3)n2)cc1
• InChI: InChI=1S/C52H33N5/c1-4-18-34(19-5-1)49-53-50(35-20-6-2-7-21-35)55-51(54-49)57-45-30-16-12-26-39(45)40-32-48-44(33-47(40)57)52(41-27-13-10-24-37(41)38-25-11-14-28-42(38)52)43-29-15-17-31-46(43)56(48)36-22-8-3-9-23-36/h1-33H
• InChIKey: DJYVOHWTPWLWFH-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.87
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] (CID 66804868) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene].

What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3N5c3ccccc3)n2)cc1.

What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The InChIKey is DJYVOHWTPWLWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-4-18-34(19-5-1)49-53-50(35-20-6-2-7-21-35)55-51(54-49)57-45-30-16-12-26-39(45)40-32-48-44(33-47(40)57)52(41-27-13-10-24-37(41)38-25-11-14-28-42(38)52)43-29-15-17-31-46(43)56(48)36-22-8-3-9-23-36/h1-33H.

What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] has a molecular weight of 727.87 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] is sourced from PubChem (CID 66804868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).