2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline

C165H108N12 — CID 158744831

About 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline

2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline (PubChem CID 158744831) has the molecular formula C165H108N12 and a molecular weight of 2258.76 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 158744831
• Molecular Formula: C165H108N12
• Molecular Weight: 2258.76 g/mol
• Exact Mass: 2256.88
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc(-c7cccc(-c8cc(-c9ccc%10ccccc%10c9)nc(-c9ccccc9)n8)c7)nc6c5n4)c3)cc21.c1ccc(-c2cc(-c3cccc(-c4ccc5ccc6ccc(-c7ccc(-c8cccc9ccccc89)cc7)nc6c5n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8cccc(-c9ccc%10ccccc%10c9)c8)nc7c6n5)cc4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C59H40N4.C56H36N4.C50H32N4/c1-59(2)50-21-9-8-20-48(50)49-29-26-43(35-51(49)59)42-16-10-17-44(33-42)52-30-27-38-23-24-39-28-31-53(61-57(39)56(38)60-52)45-18-11-19-46(34-45)54-36-55(63-58(62-54)40-13-4-3-5-14-40)47-25-22-37-12-6-7-15-41(37)32-47;1-3-10-37(11-4-1)39-18-21-41(22-19-39)52-36-53(60-56(59-52)45-13-5-2-6-14-45)42-25-23-40(24-26-42)50-32-30-43-27-28-44-31-33-51(58-55(44)54(43)57-50)49-17-9-16-47(35-49)48-29-20-38-12-7-8-15-46(38)34-48;1-3-12-35(13-4-1)46-32-47(54-50(53-46)39-14-5-2-6-15-39)41-18-9-17-40(31-41)45-30-28-38-26-25-37-27-29-44(51-48(37)49(38)52-45)36-23-21-34(22-24-36)43-20-10-16-33-11-7-8-19-42(33)43/h3-36H,1-2H3;1-36H;1-32H
• InChIKey: IMTGXVCULDNEKM-UHFFFAOYSA-N
• XLogP: 42.16
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.76
LogP ≤ 5	42.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline (CID 158744831) is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc(-c7cccc(-c8cc(-c9ccc%10ccccc%10c9)nc(-c9ccccc9)n8)c7)nc6c5n4)c3)cc21.c1ccc(-c2cc(-c3cccc(-c4ccc5ccc6ccc(-c7ccc(-c8cccc9ccccc89)cc7)nc6c5n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8cccc(-c9ccc%10ccccc%10c9)c8)nc7c6n5)cc4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?

The InChIKey is IMTGXVCULDNEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4.C56H36N4.C50H32N4/c1-59(2)50-21-9-8-20-48(50)49-29-26-43(35-51(49)59)42-16-10-17-44(33-42)52-30-27-38-23-24-39-28-31-53(61-57(39)56(38)60-52)45-18-11-19-46(34-45)54-36-55(63-58(62-54)40-13-4-3-5-14-40)47-25-22-37-12-6-7-15-41(37)32-47;1-3-10-37(11-4-1)39-18-21-41(22-19-39)52-36-53(60-56(59-52)45-13-5-2-6-14-45)42-25-23-40(24-26-42)50-32-30-43-27-28-44-31-33-51(58-55(44)54(43)57-50)49-17-9-16-47(35-49)48-29-20-38-12-7-8-15-46(38)34-48;1-3-12-35(13-4-1)46-32-47(54-50(53-46)39-14-5-2-6-15-39)41-18-9-17-40(31-41)45-30-28-38-26-25-37-27-29-44(51-48(37)49(38)52-45)36-23-21-34(22-24-36)43-20-10-16-33-11-7-8-19-42(33)43/h3-36H,1-2H3;1-36H;1-32H.

What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline?

2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline has a molecular weight of 2258.76 g/mol, XLogP of 42.16, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 158744831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).