2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine

C74H48N6 — CID 165150540

About 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine

2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine (PubChem CID 165150540) has the molecular formula C74H48N6 and a molecular weight of 1021.24 g/mol. Its IUPAC name is 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
• PubChem CID: 165150540
• Molecular Formula: C74H48N6
• Molecular Weight: 1021.24 g/mol
• Exact Mass: 1020.39
• IUPAC Name: 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7cc(-c8ccccc8-c8ccccn8)nc(-c8ccccc8)n7)c6)ccc54)c3)cc(-c3ccccc3-c3ccccn3)n2)cc1
• InChI: InChI=1S/C74H48N6/c1-3-19-47(20-4-1)73-77-67(45-69(79-73)57-29-9-7-27-55(57)65-33-13-15-39-75-65)53-25-17-23-49(41-53)51-35-37-61-63(43-51)71-59-31-11-12-32-60(59)72(61)64-44-52(36-38-62(64)71)50-24-18-26-54(42-50)68-46-70(80-74(78-68)48-21-5-2-6-22-48)58-30-10-8-28-56(58)66-34-14-16-40-76-66/h1-46,71-72H
• InChIKey: QLYPAIWFORBCCY-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.24
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?

The IUPAC name of 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine (CID 165150540) is 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine.

What is the SMILES notation for 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?

The canonical SMILES for 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7cc(-c8ccccc8-c8ccccn8)nc(-c8ccccc8)n7)c6)ccc54)c3)cc(-c3ccccc3-c3ccccn3)n2)cc1.

What is the InChIKey of 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?

The InChIKey is QLYPAIWFORBCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N6/c1-3-19-47(20-4-1)73-77-67(45-69(79-73)57-29-9-7-27-55(57)65-33-13-15-39-75-65)53-25-17-23-49(41-53)51-35-37-61-63(43-51)71-59-31-11-12-32-60(59)72(61)64-44-52(36-38-62(64)71)50-24-18-26-54(42-50)68-46-70(80-74(78-68)48-21-5-2-6-22-48)58-30-10-8-28-56(58)66-34-14-16-40-76-66/h1-46,71-72H.

What are the key properties of 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine?

2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 1021.24 g/mol, XLogP of 17.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 165150540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).