10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane

C24H33NO2 — CID 91236935

IUPAC10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane
SMILESCC.CC.CC.CC1(C)c2c(C(=O)O)cccc2-c2[nH]c3ccccc3c21
InChIInChI=1S/C18H15NO2.3C2H6/c1-18(2)14-11(7-5-8-12(14)17(20)21)16-15(18)10-6-3-4-9-13(10)19-16;3*1-2/h3-9,19H,1-2H3,(H,20,21);3*1-2H3
InChIKeyNVMSMPUGICCYTJ-UHFFFAOYSA-N
MW367.53 g/mol
LogP7.25
Rot. Bonds1

About 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane

10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane (PubChem CID 91236935) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane.

Molecular Properties

Compound Name10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane
PubChem CID91236935
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane
SMILESCC.CC.CC.CC1(C)c2c(C(=O)O)cccc2-c2[nH]c3ccccc3c21
InChIInChI=1S/C18H15NO2.3C2H6/c1-18(2)14-11(7-5-8-12(14)17(20)21)16-15(18)10-6-3-4-9-13(10)19-16;3*1-2/h3-9,19H,1-2H3,(H,20,21);3*1-2H3
InChIKeyNVMSMPUGICCYTJ-UHFFFAOYSA-N
XLogP7.25
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
5,5,6,6-tetramethyl-11H-benzo[a]carbazole
CID 3770048
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
phthalic acid;1H-quinazoline-2,4-dione
CID 160781113
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
9H-carbazole;carbonic acid
CID 67577328
3-benzoyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid
CID 141180163
ethane;4-phenyl-9H-carbazole
CID 168948755
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
1,1-dimethyl-3-propanoyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid
CID 69178448
2-amino-3-(1H-indol-2-yl)benzoic acid
CID 150652093
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane?
The IUPAC name of 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane (CID 91236935) is 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane.
What is the SMILES notation for 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane?
The canonical SMILES for 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane is CC.CC.CC.CC1(C)c2c(C(=O)O)cccc2-c2[nH]c3ccccc3c21.
What is the InChIKey of 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane?
The InChIKey is NVMSMPUGICCYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2.3C2H6/c1-18(2)14-11(7-5-8-12(14)17(20)21)16-15(18)10-6-3-4-9-13(10)19-16;3*1-2/h3-9,19H,1-2H3,(H,20,21);3*1-2H3.
What are the key properties of 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane?
10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane has a molecular weight of 367.53 g/mol, XLogP of 7.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5H-indeno[1,2-b]indole-1-carboxylic acid;ethane is sourced from PubChem (CID 91236935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).