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

IUPAC3,6-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
SMILESFc1ccc2c(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
InChIInChI=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
InChIKeyFOYHFKZFBCCYDR-UHFFFAOYSA-N
MW1383.58 g/mol
LogP22.57
Rot. Bonds10

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 Name3,6-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 CID158098389
Molecular FormulaC93H60F2N12
Molecular Weight1383.58 g/mol
Exact Mass1382.50
IUPAC Name3,6-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
SMILESFc1ccc2c(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
InChIInChI=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
InChIKeyFOYHFKZFBCCYDR-UHFFFAOYSA-N
XLogP22.57
TPSA113.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms107
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001383.58
LogP ≤ 522.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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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).