2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline

C80H50N8 — CID 165151414

About 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline

2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline (PubChem CID 165151414) has the molecular formula C80H50N8 and a molecular weight of 1123.34 g/mol. Its IUPAC name is 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline.

Molecular Properties

• Compound Name: 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline
• PubChem CID: 165151414
• Molecular Formula: C80H50N8
• Molecular Weight: 1123.34 g/mol
• Exact Mass: 1122.42
• IUPAC Name: 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline
• SMILES: c1ccc(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc4ccccc34)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6nc(-c7ccccc7)nc7ccccc67)n5)ccc43)n2)cc1
• InChI: InChI=1S/C80H50N8/c1-5-23-49(24-6-1)69-47-71(55-31-13-17-35-61(55)75-63-37-19-21-39-67(63)81-77(87-75)51-27-9-3-10-28-51)85-79(83-69)53-41-43-59-65(45-53)73-57-33-15-16-34-58(57)74(59)66-46-54(42-44-60(66)73)80-84-70(50-25-7-2-8-26-50)48-72(86-80)56-32-14-18-36-62(56)76-64-38-20-22-40-68(64)82-78(88-76)52-29-11-4-12-30-52/h1-48,73-74H
• InChIKey: NTSOHINJMXDVJP-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.34
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline?

The IUPAC name of 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline (CID 165151414) is 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline.

What is the SMILES notation for 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline?

The canonical SMILES for 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline is c1ccc(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc4ccccc34)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6nc(-c7ccccc7)nc7ccccc67)n5)ccc43)n2)cc1.

What is the InChIKey of 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline?

The InChIKey is NTSOHINJMXDVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c1-5-23-49(24-6-1)69-47-71(55-31-13-17-35-61(55)75-63-37-19-21-39-67(63)81-77(87-75)51-27-9-3-10-28-51)85-79(83-69)53-41-43-59-65(45-53)73-57-33-15-16-34-58(57)74(59)66-46-54(42-44-60(66)73)80-84-70(50-25-7-2-8-26-50)48-72(86-80)56-32-14-18-36-62(56)76-64-38-20-22-40-68(64)82-78(88-76)52-29-11-4-12-30-52/h1-48,73-74H.

What are the key properties of 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline?

2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline has a molecular weight of 1123.34 g/mol, XLogP of 18.81, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-2-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]pyrimidin-4-yl]phenyl]quinazoline is sourced from PubChem (CID 165151414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).