13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C59H39N3 — CID 145273154

About 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 145273154) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• PubChem CID: 145273154
• Molecular Formula: C59H39N3
• Molecular Weight: 789.98 g/mol
• Exact Mass: 789.31
• IUPAC Name: 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C6(c7ccccc7)c7ccccc7-n7c8ccccc8c8cccc6c87)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C59H39N3/c1-4-15-40(16-5-1)41-27-31-44(32-28-41)53-39-54(61-58(60-53)46-17-6-2-7-18-46)45-33-29-42(30-34-45)43-35-37-48(38-36-43)59(47-19-8-3-9-20-47)51-23-11-13-26-56(51)62-55-25-12-10-21-49(55)50-22-14-24-52(59)57(50)62/h1-39H
• InChIKey: YOKSNVVKWOMRAK-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.98
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 145273154) is 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C6(c7ccccc7)c7ccccc7-n7c8ccccc8c8cccc6c87)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The InChIKey is YOKSNVVKWOMRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-4-15-40(16-5-1)41-27-31-44(32-28-41)53-39-54(61-58(60-53)46-17-6-2-7-18-46)45-33-29-42(30-34-45)43-35-37-48(38-36-43)59(47-19-8-3-9-20-47)51-23-11-13-26-56(51)62-55-25-12-10-21-49(55)50-22-14-24-52(59)57(50)62/h1-39H.

What are the key properties of 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 789.98 g/mol, XLogP of 14.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 145273154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).