3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole

C21H15Br2N — CID 156904639

IUPAC3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[nH]c1cc(Br)ccc13
InChIInChI=1S/C21H15Br2N/c1-21(2)17-7-11(22)3-5-13(17)15-9-16-14-6-4-12(23)8-19(14)24-20(16)10-18(15)21/h3-10,24H,1-2H3
InChIKeyCAARCMVUYBHMHR-UHFFFAOYSA-N
MW441.17 g/mol
LogP7.15
Rot. Bonds

About 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole

3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole (PubChem CID 156904639) has the molecular formula C21H15Br2N and a molecular weight of 441.17 g/mol. Its IUPAC name is 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
PubChem CID156904639
Molecular FormulaC21H15Br2N
Molecular Weight441.17 g/mol
Exact Mass438.96
IUPAC Name3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[nH]c1cc(Br)ccc13
InChIInChI=1S/C21H15Br2N/c1-21(2)17-7-11(22)3-5-13(17)15-9-16-14-6-4-12(23)8-19(14)24-20(16)10-18(15)21/h3-10,24H,1-2H3
InChIKeyCAARCMVUYBHMHR-UHFFFAOYSA-N
XLogP7.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.17
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene
CID 158874944
2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole
CID 163958018
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
9,11,11-trimethyl-5H-indeno[1,2-b]carbazole
CID 139479961
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 141461619
9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 130288485
2-bromo-7-hexyl-9,9-dimethylfluorene
CID 130398311
7-bromo-10,10-dimethyl-14,21-dinaphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 87380668
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597

Frequently Asked Questions

What is the IUPAC name of 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
The IUPAC name of 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole (CID 156904639) is 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole.
What is the SMILES notation for 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
The canonical SMILES for 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole is CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[nH]c1cc(Br)ccc13.
What is the InChIKey of 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
The InChIKey is CAARCMVUYBHMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br2N/c1-21(2)17-7-11(22)3-5-13(17)15-9-16-14-6-4-12(23)8-19(14)24-20(16)10-18(15)21/h3-10,24H,1-2H3.
What are the key properties of 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole has a molecular weight of 441.17 g/mol, XLogP of 7.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole is sourced from PubChem (CID 156904639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).