5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole

C26H18Br2N2 — CID 86664282

IUPAC5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(Br)nc(Br)c1
InChIInChI=1S/C26H18Br2N2/c1-26(2)20-9-5-3-7-16(20)18-14-23-19(13-21(18)26)17-8-4-6-10-22(17)30(23)15-11-24(27)29-25(28)12-15/h3-14H,1-2H3
InChIKeyRLYTXIQWPWYOQT-UHFFFAOYSA-N
MW518.25 g/mol
LogP8.01
Rot. Bonds1

About 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole

5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 86664282) has the molecular formula C26H18Br2N2 and a molecular weight of 518.25 g/mol. Its IUPAC name is 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID86664282
Molecular FormulaC26H18Br2N2
Molecular Weight518.25 g/mol
Exact Mass515.98
IUPAC Name5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(Br)nc(Br)c1
InChIInChI=1S/C26H18Br2N2/c1-26(2)20-9-5-3-7-16(20)18-14-23-19(13-21(18)26)17-8-4-6-10-22(17)30(23)15-11-24(27)29-25(28)12-15/h3-14H,1-2H3
InChIKeyRLYTXIQWPWYOQT-UHFFFAOYSA-N
XLogP8.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
CID 134551753
CID 134551753
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165164081
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole (CID 86664282) is 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(Br)nc(Br)c1.
What is the InChIKey of 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is RLYTXIQWPWYOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2N2/c1-26(2)20-9-5-3-7-16(20)18-14-23-19(13-21(18)26)17-8-4-6-10-22(17)30(23)15-11-24(27)29-25(28)12-15/h3-14H,1-2H3.
What are the key properties of 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole?
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 518.25 g/mol, XLogP of 8.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 86664282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).