3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole

C₉₃H₆₀F₂N₁₂ — CID 158098389

About 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole

3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole (PubChem CID 158098389) has the molecular formula C₉₃H₆₀F₂N₁₂ and a molecular weight of 1383.58 g/mol. Its IUPAC name is 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole.

Molecular Properties

• Compound Name: 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole
• PubChem CID: 158098389
• Molecular Formula: C₉₃H₆₀F₂N₁₂
• Molecular Weight: 1383.58 g/mol
• Exact Mass: 1382.50
• IUPAC Name: 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole
• SMILES: Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cc(-c2ccccc2)nc(-c2ccccn2)c1.c1ccc(-c2c(-c3ncc(-n4c5ccccc5c5ccccc54)cn3)cn3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cnc(-c3cn4ccccc4n3)nc2)cc1
• InChI: InChI=1S/C35H23N5.C30H20N4.C28H17F2N3/c1-3-9-24(10-4-1)26-14-16-32-29(19-26)30-20-27(25-11-5-2-6-12-25)15-17-33(30)40(32)28-21-36-35(37-22-28)31-23-39-18-8-7-13-34(39)38-31;1-2-10-21(11-3-1)29-25(20-33-17-9-8-16-28(29)33)30-31-18-22(19-32-30)34-26-14-6-4-12-23(26)24-13-5-7-15-27(24)34;29-19-9-11-27-22(14-19)23-15-20(30)10-12-28(23)33(27)21-16-25(18-6-2-1-3-7-18)32-26(17-21)24-8-4-5-13-31-24/h1-23H;1-20H;1-17H
• InChIKey: FOYHFKZFBCCYDR-UHFFFAOYSA-N
• XLogP: 22.57
• TPSA: 113.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.58
LogP ≤ 5	22.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole?

The IUPAC name of 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole (CID 158098389) is 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole.

What is the SMILES notation for 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole?

The canonical SMILES for 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cc(-c2ccccc2)nc(-c2ccccn2)c1.c1ccc(-c2c(-c3ncc(-n4c5ccccc5c5ccccc54)cn3)cn3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cnc(-c3cn4ccccc4n3)nc2)cc1.

What is the InChIKey of 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole?

The InChIKey is FOYHFKZFBCCYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5.C30H20N4.C28H17F2N3/c1-3-9-24(10-4-1)26-14-16-32-29(19-26)30-20-27(25-11-5-2-6-12-25)15-17-33(30)40(32)28-21-36-35(37-22-28)31-23-39-18-8-7-13-34(39)38-31;1-2-10-21(11-3-1)29-25(20-33-17-9-8-16-28(29)33)30-31-18-22(19-32-30)34-26-14-6-4-12-23(26)24-13-5-7-15-27(24)34;29-19-9-11-27-22(14-19)23-15-20(30)10-12-28(23)33(27)21-16-25(18-6-2-1-3-7-18)32-26(17-21)24-8-4-5-13-31-24/h1-23H;1-20H;1-17H.

What are the key properties of 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole?

3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole has a molecular weight of 1383.58 g/mol, XLogP of 22.57, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-difluoro-9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazole;9-(2-imidazo[1,2-a]pyridin-2-ylpyrimidin-5-yl)-3,6-diphenylcarbazole;9-[2-(1-phenylindolizin-2-yl)pyrimidin-5-yl]carbazole is sourced from PubChem (CID 158098389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158098389 — identifiers, structure, computed properties (public domain)

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