4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

C111H79N7 — CID 162076322

About 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 162076322) has the molecular formula C111H79N7 and a molecular weight of 1510.90 g/mol. Its IUPAC name is 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
• PubChem CID: 162076322
• Molecular Formula: C111H79N7
• Molecular Weight: 1510.90 g/mol
• Exact Mass: 1509.64
• IUPAC Name: 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccc(-c8ccccn8)cc7)nc(-c7ccccc7)n6)c5)c4)c3)c2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccncc8)cc7)n6)c5)c4)c3)cc21
• InChI: InChI=1S/C58H41N3.C53H38N4/c1-58(2)51-25-13-24-48(55(51)50-32-31-38-14-6-7-23-49(38)56(50)58)46-21-11-19-44(35-46)42-17-10-18-43(34-42)45-20-12-22-47(36-45)54-37-53(60-57(61-54)41-15-4-3-5-16-41)40-29-27-39(28-30-40)52-26-8-9-33-59-52;1-53(2)48-20-7-6-19-46(48)47-26-25-44(34-49(47)53)42-16-9-14-40(32-42)39-13-8-15-41(31-39)43-17-10-18-45(33-43)52-56-50(37-11-4-3-5-12-37)55-51(57-52)38-23-21-35(22-24-38)36-27-29-54-30-28-36/h3-37H,1-2H3;3-34H,1-2H3
• InChIKey: ZBTDCWBOCHUULS-UHFFFAOYSA-N
• XLogP: 28.24
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1510.90
LogP ≤ 5	28.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?

The IUPAC name of 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 162076322) is 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is CC1(C)c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccc(-c8ccccn8)cc7)nc(-c7ccccc7)n6)c5)c4)c3)c2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccncc8)cc7)n6)c5)c4)c3)cc21.

What is the InChIKey of 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?

The InChIKey is ZBTDCWBOCHUULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3.C53H38N4/c1-58(2)51-25-13-24-48(55(51)50-32-31-38-14-6-7-23-49(38)56(50)58)46-21-11-19-44(35-46)42-17-10-18-43(34-42)45-20-12-22-47(36-45)54-37-53(60-57(61-54)41-15-4-3-5-16-41)40-29-27-39(28-30-40)52-26-8-9-33-59-52;1-53(2)48-20-7-6-19-46(48)47-26-25-44(34-49(47)53)42-16-9-14-40(32-42)39-13-8-15-41(31-39)43-17-10-18-45(33-43)52-56-50(37-11-4-3-5-12-37)55-51(57-52)38-23-21-35(22-24-38)36-27-29-54-30-28-36/h3-37H,1-2H3;3-34H,1-2H3.

What are the key properties of 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?

4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 1510.90 g/mol, XLogP of 28.24, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 162076322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).