2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole

C21H18BrN — CID 163958018

IUPAC2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=CCC2)c2cc3c(cc21)[nH]c1ccc(Br)cc13
InChIInChI=1S/C21H18BrN/c1-21(2)17-6-4-3-5-13(17)14-10-16-15-9-12(22)7-8-19(15)23-20(16)11-18(14)21/h3,5,7-11,23H,4,6H2,1-2H3
InChIKeySFCCHHRJLZZAJD-UHFFFAOYSA-N
MW364.29 g/mol
LogP6.48
Rot. Bonds

About 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole

2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole (PubChem CID 163958018) has the molecular formula C21H18BrN and a molecular weight of 364.29 g/mol. Its IUPAC name is 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole
PubChem CID163958018
Molecular FormulaC21H18BrN
Molecular Weight364.29 g/mol
Exact Mass363.06
IUPAC Name2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=CCC2)c2cc3c(cc21)[nH]c1ccc(Br)cc13
InChIInChI=1S/C21H18BrN/c1-21(2)17-6-4-3-5-13(17)14-10-16-15-9-12(22)7-8-19(15)23-20(16)11-18(14)21/h3,5,7-11,23H,4,6H2,1-2H3
InChIKeySFCCHHRJLZZAJD-UHFFFAOYSA-N
XLogP6.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.29
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 156904639
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
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
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene
CID 146420759
2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 141461619
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
2-[3-(11,11-dimethyl-1,2-dihydrobenzo[b]fluoren-7-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine
CID 163905346
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690
7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole
CID 79933960
6-bromo-2-phenyl-9H-carbazole
CID 118493011

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole?
The IUPAC name of 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole (CID 163958018) is 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole.
What is the SMILES notation for 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole?
The canonical SMILES for 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole is CC1(C)C2=C(C=CCC2)c2cc3c(cc21)[nH]c1ccc(Br)cc13.
What is the InChIKey of 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole?
The InChIKey is SFCCHHRJLZZAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN/c1-21(2)17-6-4-3-5-13(17)14-10-16-15-9-12(22)7-8-19(15)23-20(16)11-18(14)21/h3,5,7-11,23H,4,6H2,1-2H3.
What are the key properties of 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole?
2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole has a molecular weight of 364.29 g/mol, XLogP of 6.48, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7,7-dimethyl-8,9-dihydro-5H-indeno[2,1-b]carbazole is sourced from PubChem (CID 163958018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).