4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine

C82H58N4 — CID 165151041

About 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine

4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine (PubChem CID 165151041) has the molecular formula C82H58N4 and a molecular weight of 1099.39 g/mol. Its IUPAC name is 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine
• PubChem CID: 165151041
• Molecular Formula: C82H58N4
• Molecular Weight: 1099.39 g/mol
• Exact Mass: 1098.47
• IUPAC Name: 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)ccc54)n3)cc21
• InChI: InChI=1S/C82H58N4/c1-81(2)69-33-19-17-27-57(69)59-39-35-51(45-71(59)81)55-25-11-13-29-61(55)75-47-73(49-21-7-5-8-22-49)83-79(85-75)53-37-41-65-67(43-53)77-63-31-15-16-32-64(63)78(65)68-44-54(38-42-66(68)77)80-84-74(50-23-9-6-10-24-50)48-76(86-80)62-30-14-12-26-56(62)52-36-40-60-58-28-18-20-34-70(58)82(3,4)72(60)46-52/h5-48,77-78H,1-4H3
• InChIKey: VWRHBBAZQLTROQ-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.39
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine?

The IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine (CID 165151041) is 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine.

What is the SMILES notation for 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine?

The canonical SMILES for 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)ccc54)n3)cc21.

What is the InChIKey of 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine?

The InChIKey is VWRHBBAZQLTROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N4/c1-81(2)69-33-19-17-27-57(69)59-39-35-51(45-71(59)81)55-25-11-13-29-61(55)75-47-73(49-21-7-5-8-22-49)83-79(85-75)53-37-41-65-67(43-53)77-63-31-15-16-32-64(63)78(65)68-44-54(38-42-66(68)77)80-84-74(50-23-9-6-10-24-50)48-76(86-80)62-30-14-12-26-56(62)52-36-40-60-58-28-18-20-34-70(58)82(3,4)72(60)46-52/h5-48,77-78H,1-4H3.

What are the key properties of 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine?

4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine has a molecular weight of 1099.39 g/mol, XLogP of 20.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-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]-6-phenylpyrimidine is sourced from PubChem (CID 165151041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).