4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine

C76H50N4 — CID 165150984

About 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine

4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine (PubChem CID 165150984) has the molecular formula C76H50N4 and a molecular weight of 1019.26 g/mol. Its IUPAC name is 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
• PubChem CID: 165150984
• Molecular Formula: C76H50N4
• Molecular Weight: 1019.26 g/mol
• Exact Mass: 1018.40
• IUPAC Name: 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
• SMILES: c1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cc(-c7cc(-c8ccccc8)ccc7-c7ccccc7)nc(-c7ccccc7)n6)ccc54)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C76H50N4/c1-7-21-49(22-8-1)55-35-39-59(51-25-11-3-12-26-51)65(43-55)71-47-69(77-75(79-71)53-29-15-5-16-30-53)57-37-41-63-67(45-57)73-61-33-19-20-34-62(61)74(63)68-46-58(38-42-64(68)73)70-48-72(80-76(78-70)54-31-17-6-18-32-54)66-44-56(50-23-9-2-10-24-50)36-40-60(66)52-27-13-4-14-28-52/h1-48,73-74H
• InChIKey: GAOMXYZZJPWOJN-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.26
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine (CID 165150984) is 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine.

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

The canonical SMILES for 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine is c1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cc(-c7cc(-c8ccccc8)ccc7-c7ccccc7)nc(-c7ccccc7)n6)ccc54)nc(-c4ccccc4)n3)c2)cc1.

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

The InChIKey is GAOMXYZZJPWOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4/c1-7-21-49(22-8-1)55-35-39-59(51-25-11-3-12-26-51)65(43-55)71-47-69(77-75(79-71)53-29-15-5-16-30-53)57-37-41-63-67(45-57)73-61-33-19-20-34-62(61)74(63)68-46-58(38-42-64(68)73)70-48-72(80-76(78-70)54-31-17-6-18-32-54)66-44-56(50-23-9-2-10-24-50)36-40-60(66)52-27-13-4-14-28-52/h1-48,73-74H.

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

4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine has a molecular weight of 1019.26 g/mol, XLogP of 18.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine is sourced from PubChem (CID 165150984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).