14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

C53H36N6 — CID 146391218

About 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (PubChem CID 146391218) has the molecular formula C53H36N6 and a molecular weight of 756.91 g/mol. Its IUPAC name is 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• PubChem CID: 146391218
• Molecular Formula: C53H36N6
• Molecular Weight: 756.91 g/mol
• Exact Mass: 756.30
• IUPAC Name: 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• SMILES: CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(N3c4ccccc4-c4ccccc4-n4c3nc3cc5ccccc5cc34)cc21
• InChI: InChI=1S/C53H36N6/c1-53(2)43-29-37(51-56-49(33-15-5-3-6-16-33)55-50(57-51)34-17-7-4-8-18-34)25-27-39(43)40-28-26-38(32-44(40)53)58-46-23-13-11-21-41(46)42-22-12-14-24-47(42)59-48-31-36-20-10-9-19-35(36)30-45(48)54-52(58)59/h3-32H,1-2H3
• InChIKey: GVVYOTFHSAVYJD-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.91
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The IUPAC name of 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (CID 146391218) is 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

What is the SMILES notation for 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The canonical SMILES for 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(N3c4ccccc4-c4ccccc4-n4c3nc3cc5ccccc5cc34)cc21.

What is the InChIKey of 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The InChIKey is GVVYOTFHSAVYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N6/c1-53(2)43-29-37(51-56-49(33-15-5-3-6-16-33)55-50(57-51)34-17-7-4-8-18-34)25-27-39(43)40-28-26-38(32-44(40)53)58-46-23-13-11-21-41(46)42-22-12-14-24-47(42)59-48-31-36-20-10-9-19-35(36)30-45(48)54-52(58)59/h3-32H,1-2H3.

What are the key properties of 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene has a molecular weight of 756.91 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 146391218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).