10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene

C45H28N4 — CID 163783995

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene (PubChem CID 163783995) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
• PubChem CID: 163783995
• Molecular Formula: C45H28N4
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.23
• IUPAC Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
• SMILES: c1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c5ccccc5n5c6ccccc6c3c45)cc2)cc1
• InChI: InChI=1S/C45H28N4/c1-4-14-29(15-5-1)30-24-26-31(27-25-30)40-37(45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33)28-36-34-20-10-12-22-38(34)49-39-23-13-11-21-35(39)41(40)42(36)49/h1-28H
• InChIKey: MQZANEPCMNSWPH-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.75
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?

The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene (CID 163783995) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene.

What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?

The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene is c1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c5ccccc5n5c6ccccc6c3c45)cc2)cc1.

What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?

The InChIKey is MQZANEPCMNSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-4-14-29(15-5-1)30-24-26-31(27-25-30)40-37(45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33)28-36-34-20-10-12-22-38(34)49-39-23-13-11-21-35(39)41(40)42(36)49/h1-28H.

What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene?

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene has a molecular weight of 624.75 g/mol, XLogP of 11.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene is sourced from PubChem (CID 163783995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).