17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene

C41H27N3 — CID 130444595

About 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene

17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene (PubChem CID 130444595) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene.

Molecular Properties

• Compound Name: 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
• PubChem CID: 130444595
• Molecular Formula: C41H27N3
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.22
• IUPAC Name: 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
• SMILES: C1=CN(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2cccc3cc4c(c1c23)c1ccccc1n4-c1ccccc1
• InChI: InChI=1S/C41H27N3/c1-4-13-28(14-5-1)31-25-35(29-15-6-2-7-16-29)42-39(27-31)43-24-23-34-40-30(17-12-22-37(40)43)26-38-41(34)33-20-10-11-21-36(33)44(38)32-18-8-3-9-19-32/h1-27H
• InChIKey: RAUPZTGOCHYHSM-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?

The IUPAC name of 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene (CID 130444595) is 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene.

What is the SMILES notation for 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?

The canonical SMILES for 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene is C1=CN(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2cccc3cc4c(c1c23)c1ccccc1n4-c1ccccc1.

What is the InChIKey of 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?

The InChIKey is RAUPZTGOCHYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-4-13-28(14-5-1)31-25-35(29-15-6-2-7-16-29)42-39(27-31)43-24-23-34-40-30(17-12-22-37(40)43)26-38-41(34)33-20-10-11-21-36(33)44(38)32-18-8-3-9-19-32/h1-27H.

What are the key properties of 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?

17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene has a molecular weight of 561.69 g/mol, XLogP of 10.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,17-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene is sourced from PubChem (CID 130444595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).