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

C44H32N2 — CID 130444626

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

17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene (PubChem CID 130444626) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[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-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
• PubChem CID: 130444626
• Molecular Formula: C44H32N2
• Molecular Weight: 588.75 g/mol
• Exact Mass: 588.26
• IUPAC Name: 17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
• SMILES: CC1(C)c2ccccc2-c2c1cc1cccc3c1c2C=CN3c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C44H32N2/c1-44(2)37-18-10-9-17-35(37)43-36-24-25-46(41-19-11-16-32(42(36)41)26-38(43)44)34-22-20-29(21-23-34)33-27-39(30-12-5-3-6-13-30)45-40(28-33)31-14-7-4-8-15-31/h3-28H,1-2H3
• InChIKey: RRZXGRWMFPQBPO-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.75
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[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-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene (CID 130444626) is 17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[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-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[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-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene is CC1(C)c2ccccc2-c2c1cc1cccc3c1c2C=CN3c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.

What is the InChIKey of 17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[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 RRZXGRWMFPQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-44(2)37-18-10-9-17-35(37)43-36-24-25-46(41-19-11-16-32(42(36)41)26-38(43)44)34-22-20-29(21-23-34)33-27-39(30-12-5-3-6-13-30)45-40(28-33)31-14-7-4-8-15-31/h3-28H,1-2H3.

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

17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[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 588.75 g/mol, XLogP of 11.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[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 130444626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).