1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole

C136H88Br4N12 — CID 159934000

IUPAC1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
SMILESBrc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12.Brc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c12.Brc1cccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c12.Brc1cccc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c12
InChIInChI=1S/C35H23BrN2.2C34H22BrN3.C33H21BrN4/c36-31-19-10-18-30-29-17-7-8-20-34(29)38(35(30)31)28-16-9-15-26(21-28)27-22-32(24-11-3-1-4-12-24)37-33(23-27)25-13-5-2-6-14-25;35-29-19-10-18-28-27-17-7-8-20-32(27)38(33(28)29)26-16-9-15-25(21-26)34-36-30(23-11-3-1-4-12-23)22-31(37-34)24-13-5-2-6-14-24;35-29-16-9-15-28-27-14-7-8-17-32(27)38(33(28)29)26-20-18-24(19-21-26)31-22-30(23-10-3-1-4-11-23)36-34(37-31)25-12-5-2-6-13-25;34-27-10-7-9-26-25-8-1-2-13-32(25)38(33(26)27)24-16-14-22(15-17-24)23-20-30(28-11-3-5-18-35-28)37-31(21-23)29-12-4-6-19-36-29/h1-23H;2*1-22H;1-21H
InChIKeyNZZSBRRDTVBKAR-UHFFFAOYSA-N
MW2209.90 g/mol
LogP37.35
Rot. Bonds16

About 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole

1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole (PubChem CID 159934000) has the molecular formula C136H88Br4N12 and a molecular weight of 2209.90 g/mol. Its IUPAC name is 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole.

Molecular Properties

Compound Name1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
PubChem CID159934000
Molecular FormulaC136H88Br4N12
Molecular Weight2209.90 g/mol
Exact Mass2204.40
IUPAC Name1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
SMILESBrc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12.Brc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c12.Brc1cccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c12.Brc1cccc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c12
InChIInChI=1S/C35H23BrN2.2C34H22BrN3.C33H21BrN4/c36-31-19-10-18-30-29-17-7-8-20-34(29)38(35(30)31)28-16-9-15-26(21-28)27-22-32(24-11-3-1-4-12-24)37-33(23-27)25-13-5-2-6-14-25;35-29-19-10-18-28-27-17-7-8-20-32(27)38(33(28)29)26-16-9-15-25(21-26)34-36-30(23-11-3-1-4-12-23)22-31(37-34)24-13-5-2-6-14-24;35-29-16-9-15-28-27-14-7-8-17-32(27)38(33(28)29)26-20-18-24(19-21-26)31-22-30(23-10-3-1-4-11-23)36-34(37-31)25-12-5-2-6-13-25;34-27-10-7-9-26-25-8-1-2-13-32(25)38(33(26)27)24-16-14-22(15-17-24)23-20-30(28-11-3-5-18-35-28)37-31(21-23)29-12-4-6-19-36-29/h1-23H;2*1-22H;1-21H
InChIKeyNZZSBRRDTVBKAR-UHFFFAOYSA-N
XLogP37.35
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.90
LogP ≤ 537.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
The IUPAC name of 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole (CID 159934000) is 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole.
What is the SMILES notation for 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
The canonical SMILES for 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole is Brc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12.Brc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c12.Brc1cccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c12.Brc1cccc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c12.
What is the InChIKey of 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
The InChIKey is NZZSBRRDTVBKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23BrN2.2C34H22BrN3.C33H21BrN4/c36-31-19-10-18-30-29-17-7-8-20-34(29)38(35(30)31)28-16-9-15-26(21-28)27-22-32(24-11-3-1-4-12-24)37-33(23-27)25-13-5-2-6-14-25;35-29-19-10-18-28-27-17-7-8-20-32(27)38(33(28)29)26-16-9-15-25(21-26)34-36-30(23-11-3-1-4-12-23)22-31(37-34)24-13-5-2-6-14-24;35-29-16-9-15-28-27-14-7-8-17-32(27)38(33(28)29)26-20-18-24(19-21-26)31-22-30(23-10-3-1-4-11-23)36-34(37-31)25-12-5-2-6-13-25;34-27-10-7-9-26-25-8-1-2-13-32(25)38(33(26)27)24-16-14-22(15-17-24)23-20-30(28-11-3-5-18-35-28)37-31(21-23)29-12-4-6-19-36-29/h1-23H;2*1-22H;1-21H.
What are the key properties of 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole has a molecular weight of 2209.90 g/mol, XLogP of 37.35, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 159934000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).