9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole

C49H35F3N4 — CID 148718853

About 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole

9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole (PubChem CID 148718853) has the molecular formula C49H35F3N4 and a molecular weight of 736.84 g/mol. Its IUPAC name is 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole
• PubChem CID: 148718853
• Molecular Formula: C49H35F3N4
• Molecular Weight: 736.84 g/mol
• Exact Mass: 736.28
• IUPAC Name: 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(-c2cnc4nc(C(F)(F)F)ccn24)cc1C3(C)C
• InChI: InChI=1S/C49H35F3N4/c1-47(2)38-23-29(28-16-19-43-37(22-28)34-12-8-9-13-42(34)56(43)31-10-6-5-7-11-31)14-17-32(38)35-25-41-36(26-40(35)47)33-18-15-30(24-39(33)48(41,3)4)44-27-53-46-54-45(49(50,51)52)20-21-55(44)46/h5-27H,1-4H3
• InChIKey: NYRFFXGYEFFYAL-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.84
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole?

The IUPAC name of 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole (CID 148718853) is 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(-c2cnc4nc(C(F)(F)F)ccn24)cc1C3(C)C.

What is the InChIKey of 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole?

The InChIKey is NYRFFXGYEFFYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35F3N4/c1-47(2)38-23-29(28-16-19-43-37(22-28)34-12-8-9-13-42(34)56(43)31-10-6-5-7-11-31)14-17-32(38)35-25-41-36(26-40(35)47)33-18-15-30(24-39(33)48(41,3)4)44-27-53-46-54-45(49(50,51)52)20-21-55(44)46/h5-27H,1-4H3.

What are the key properties of 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole?

9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole has a molecular weight of 736.84 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[6,6,12,12-tetramethyl-2-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]indeno[1,2-b]fluoren-8-yl]carbazole is sourced from PubChem (CID 148718853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).