14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene

C48H41N5 — CID 126598951

About 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene (PubChem CID 126598951) has the molecular formula C48H41N5 and a molecular weight of 687.89 g/mol. Its IUPAC name is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene.

Molecular Properties

• Compound Name: 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene
• PubChem CID: 126598951
• Molecular Formula: C48H41N5
• Molecular Weight: 687.89 g/mol
• Exact Mass: 687.34
• IUPAC Name: 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene
• SMILES: CC1(C)c2cc3c4cc5c6ccccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc2C(C)(C)C1(C)C
• InChI: InChI=1S/C48H41N5/c1-46(2)37-27-36-35-26-34-33-24-16-17-25-39(33)52(32-22-14-9-15-23-32)41(34)29-42(35)53(40(36)28-38(37)47(3,4)48(46,5)6)45-50-43(30-18-10-7-11-19-30)49-44(51-45)31-20-12-8-13-21-31/h7-29H,1-6H3
• InChIKey: IMHYLZDLWUMTEY-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.89
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene?

The IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene (CID 126598951) is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene.

What is the SMILES notation for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene?

The canonical SMILES for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene is CC1(C)c2cc3c4cc5c6ccccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc2C(C)(C)C1(C)C.

What is the InChIKey of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene?

The InChIKey is IMHYLZDLWUMTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N5/c1-46(2)37-27-36-35-26-34-33-24-16-17-25-39(33)52(32-22-14-9-15-23-32)41(34)29-42(35)53(40(36)28-38(37)47(3,4)48(46,5)6)45-50-43(30-18-10-7-11-19-30)49-44(51-45)31-20-12-8-13-21-31/h7-29H,1-6H3.

What are the key properties of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene?

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene has a molecular weight of 687.89 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene is sourced from PubChem (CID 126598951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).