8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline

C52H38N4 — CID 118652370

About 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline

8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline (PubChem CID 118652370) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline.

Molecular Properties

• Compound Name: 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline
• PubChem CID: 118652370
• Molecular Formula: C52H38N4
• Molecular Weight: 718.90 g/mol
• Exact Mass: 718.31
• IUPAC Name: 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cc(-c5cccc6ccccc56)ccn4)cc(-c4cccc5cccnc45)n2)cc1C3(C)C
• InChI: InChI=1S/C52H38N4/c1-51(2)42-20-8-7-17-37(42)40-28-45-41(29-44(40)51)38-22-21-34(26-43(38)52(45,3)4)50-55-46(39-19-10-14-32-15-11-24-54-49(32)39)30-48(56-50)47-27-33(23-25-53-47)36-18-9-13-31-12-5-6-16-35(31)36/h5-30H,1-4H3
• InChIKey: CRHDFZCEWCCCIS-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.90
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?

The IUPAC name of 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline (CID 118652370) is 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline.

What is the SMILES notation for 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?

The canonical SMILES for 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2nc(-c4cc(-c5cccc6ccccc56)ccn4)cc(-c4cccc5cccnc45)n2)cc1C3(C)C.

What is the InChIKey of 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?

The InChIKey is CRHDFZCEWCCCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-51(2)42-20-8-7-17-37(42)40-28-45-41(29-44(40)51)38-22-21-34(26-43(38)52(45,3)4)50-55-46(39-19-10-14-32-15-11-24-54-49(32)39)30-48(56-50)47-27-33(23-25-53-47)36-18-9-13-31-12-5-6-16-35(31)36/h5-30H,1-4H3.

What are the key properties of 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline?

8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline has a molecular weight of 718.90 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-(4-naphthalen-1-yl-2-pyridinyl)-2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)pyrimidin-4-yl]quinoline is sourced from PubChem (CID 118652370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).