2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline

C160H100N16 — CID 167576856

About 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline

2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline (PubChem CID 167576856) has the molecular formula C160H100N16 and a molecular weight of 2246.67 g/mol. Its IUPAC name is 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline.

Molecular Properties

• Compound Name: 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline
• PubChem CID: 167576856
• Molecular Formula: C160H100N16
• Molecular Weight: 2246.67 g/mol
• Exact Mass: 2244.83
• IUPAC Name: 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6nc(-c7ccccc7)nc7ccccc67)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3nc(-c4ccccc4)nc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)nc5ccccc45)c3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cccc(-c7nc(-c8ccccc8)nc8ccccc78)c6)nc(-c6ccccc6)n5)ccc43)n2)cc1
• InChI: InChI=1S/2C80H50N8/c1-5-23-49(24-6-1)77-83-69(47-71(85-77)55-31-13-17-35-61(55)75-63-37-19-21-39-67(63)81-79(87-75)51-27-9-3-10-28-51)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)70-48-72(86-78(84-70)50-25-7-2-8-26-50)56-32-14-18-36-62(56)76-64-38-20-22-40-68(64)82-80(88-76)52-29-11-4-12-30-52;1-5-21-49(22-6-1)77-83-69(53-29-19-31-57(43-53)75-63-35-15-17-37-67(63)81-79(87-75)51-25-9-3-10-26-51)47-71(85-77)55-39-41-61-65(45-55)73-59-33-13-14-34-60(59)74(61)66-46-56(40-42-62(66)73)72-48-70(84-78(86-72)50-23-7-2-8-24-50)54-30-20-32-58(44-54)76-64-36-16-18-38-68(64)82-80(88-76)52-27-11-4-12-28-52/h2*1-48,73-74H
• InChIKey: GQOVMWMAGVTQJW-UHFFFAOYSA-N
• XLogP: 37.62
• TPSA: 206.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2246.67
LogP ≤ 5	37.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline?

The IUPAC name of 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline (CID 167576856) is 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline.

What is the SMILES notation for 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline?

The canonical SMILES for 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6nc(-c7ccccc7)nc7ccccc67)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3nc(-c4ccccc4)nc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)nc5ccccc45)c3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cccc(-c7nc(-c8ccccc8)nc8ccccc78)c6)nc(-c6ccccc6)n5)ccc43)n2)cc1.

What is the InChIKey of 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline?

The InChIKey is GQOVMWMAGVTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C80H50N8/c1-5-23-49(24-6-1)77-83-69(47-71(85-77)55-31-13-17-35-61(55)75-63-37-19-21-39-67(63)81-79(87-75)51-27-9-3-10-28-51)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)70-48-72(86-78(84-70)50-25-7-2-8-26-50)56-32-14-18-36-62(56)76-64-38-20-22-40-68(64)82-80(88-76)52-29-11-4-12-30-52;1-5-21-49(22-6-1)77-83-69(53-29-19-31-57(43-53)75-63-35-15-17-37-67(63)81-79(87-75)51-25-9-3-10-26-51)47-71(85-77)55-39-41-61-65(45-55)73-59-33-13-14-34-60(59)74(61)66-46-56(40-42-62(66)73)72-48-70(84-78(86-72)50-23-7-2-8-24-50)54-30-20-32-58(44-54)76-64-36-16-18-38-68(64)82-80(88-76)52-27-11-4-12-28-52/h2*1-48,73-74H.

What are the key properties of 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline?

2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline has a molecular weight of 2246.67 g/mol, XLogP of 37.62, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline is sourced from PubChem (CID 167576856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).