9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C64H42N4 — CID 58570081

About 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 58570081) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 58570081
• Molecular Formula: C64H42N4
• Molecular Weight: 867.07 g/mol
• Exact Mass: 866.34
• IUPAC Name: 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)c6ccc54)n3)c2)cc1
• InChI: InChI=1S/C64H42N4/c1-5-19-43(20-6-1)47-37-48(44-21-7-2-8-22-44)40-51(39-47)55-29-17-33-61(65-55)67-57-31-15-13-27-53(57)63-59(67)35-36-60-64(63)54-28-14-16-32-58(54)68(60)62-34-18-30-56(66-62)52-41-49(45-23-9-3-10-24-45)38-50(42-52)46-25-11-4-12-26-46/h1-42H
• InChIKey: SEJVZGSZPDAMMO-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.07
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 58570081) is 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)c6ccc54)n3)c2)cc1.

What is the InChIKey of 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is SEJVZGSZPDAMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-5-19-43(20-6-1)47-37-48(44-21-7-2-8-22-44)40-51(39-47)55-29-17-33-61(65-55)67-57-31-15-13-27-53(57)63-59(67)35-36-60-64(63)54-28-14-16-32-58(54)68(60)62-34-18-30-56(66-62)52-41-49(45-23-9-3-10-24-45)38-50(42-52)46-25-11-4-12-26-46/h1-42H.

What are the key properties of 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 58570081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).