5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole

C21H20ClN — CID 102263923

IUPAC5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole
SMILESCC(C)Cc1c(Cl)c2ccccc2c2c1c1ccccc1n2C
InChIInChI=1S/C21H20ClN/c1-13(2)12-17-19-16-10-6-7-11-18(16)23(3)21(19)15-9-5-4-8-14(15)20(17)22/h4-11,13H,12H2,1-3H3
InChIKeyFZIBFUJQCHBKGD-UHFFFAOYSA-N
MW321.85 g/mol
LogP6.34
Rot. Bonds2

About 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole

5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole (PubChem CID 102263923) has the molecular formula C21H20ClN and a molecular weight of 321.85 g/mol. Its IUPAC name is 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole.

Molecular Properties

Compound Name5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole
PubChem CID102263923
Molecular FormulaC21H20ClN
Molecular Weight321.85 g/mol
Exact Mass321.13
IUPAC Name5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole
SMILESCC(C)Cc1c(Cl)c2ccccc2c2c1c1ccccc1n2C
InChIInChI=1S/C21H20ClN/c1-13(2)12-17-19-16-10-6-7-11-18(16)23(3)21(19)15-9-5-4-8-14(15)20(17)22/h4-11,13H,12H2,1-3H3
InChIKeyFZIBFUJQCHBKGD-UHFFFAOYSA-N
XLogP6.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.85
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
1-methyl-3-(2-methylpropyl)indole-2-carboxamide
CID 173435951
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062
11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
19-(1-bromoethyl)-9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166812509
1-chloro-2-methoxy-9-methylcarbazole
CID 10634135
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
1-(11-methylindolo[3,2-c]quinolin-6-yl)ethanol
CID 101270273
5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194410
5-methyl-2-(2-methylpropyl)pyrimido[5,4-b]indole
CID 67988435
2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 170892703

Frequently Asked Questions

What is the IUPAC name of 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole?
The IUPAC name of 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole (CID 102263923) is 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole.
What is the SMILES notation for 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole?
The canonical SMILES for 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole is CC(C)Cc1c(Cl)c2ccccc2c2c1c1ccccc1n2C.
What is the InChIKey of 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole?
The InChIKey is FZIBFUJQCHBKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN/c1-13(2)12-17-19-16-10-6-7-11-18(16)23(3)21(19)15-9-5-4-8-14(15)20(17)22/h4-11,13H,12H2,1-3H3.
What are the key properties of 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole?
5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole has a molecular weight of 321.85 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole is sourced from PubChem (CID 102263923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).