2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine

C48H38N4 — CID 145377196

About 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine

2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 145377196) has the molecular formula C48H38N4 and a molecular weight of 670.86 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine
• PubChem CID: 145377196
• Molecular Formula: C48H38N4
• Molecular Weight: 670.86 g/mol
• Exact Mass: 670.31
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccnc4)cc(C4NC5=C(C=CNC5c5ccc6ccccc6c5)N4c4ccccc4)c3)ccc21
• InChI: InChI=1S/C48H38N4/c1-48(2)42-17-9-8-16-40(42)41-29-33(20-21-43(41)48)36-26-37(35-13-10-23-49-30-35)28-38(27-36)47-51-46-44(52(47)39-14-4-3-5-15-39)22-24-50-45(46)34-19-18-31-11-6-7-12-32(31)25-34/h3-30,45,47,50-51H,1-2H3
• InChIKey: ATQAJEPZOUHYBI-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 40.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.86
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?

The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine (CID 145377196) is 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?

The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccnc4)cc(C4NC5=C(C=CNC5c5ccc6ccccc6c5)N4c4ccccc4)c3)ccc21.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?

The InChIKey is ATQAJEPZOUHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4/c1-48(2)42-17-9-8-16-40(42)41-29-33(20-21-43(41)48)36-26-37(35-13-10-23-49-30-35)28-38(27-36)47-51-46-44(52(47)39-14-4-3-5-15-39)22-24-50-45(46)34-19-18-31-11-6-7-12-32(31)25-34/h3-30,45,47,50-51H,1-2H3.

What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?

2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 670.86 g/mol, XLogP of 11.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-4-naphthalen-2-yl-1-phenyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 145377196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).