4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C46H28N4 — CID 122469735

About 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 122469735) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• PubChem CID: 122469735
• Molecular Formula: C46H28N4
• Molecular Weight: 636.76 g/mol
• Exact Mass: 636.23
• IUPAC Name: 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Cc3c(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)cccc3-4)n2)cc1
• InChI: InChI=1S/C46H28N4/c1-3-12-28(13-4-1)44-47-45(29-14-5-2-6-15-29)49-46(48-44)38-22-10-19-33-32-18-9-17-31(39(32)27-40(33)38)30-24-25-35-37-21-11-20-36-34-16-7-8-23-41(34)50(43(36)37)42(35)26-30/h1-26H,27H2
• InChIKey: GCCCEZVPVQDPRK-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.76
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 122469735) is 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Cc3c(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)cccc3-4)n2)cc1.

What is the InChIKey of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The InChIKey is GCCCEZVPVQDPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-3-12-28(13-4-1)44-47-45(29-14-5-2-6-15-29)49-46(48-44)38-22-10-19-33-32-18-9-17-31(39(32)27-40(33)38)30-24-25-35-37-21-11-20-36-34-16-7-8-23-41(34)50(43(36)37)42(35)26-30/h1-26H,27H2.

What are the key properties of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 636.76 g/mol, XLogP of 11.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 122469735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).