7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole

C21H23N — CID 71235736

IUPAC7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole
SMILESCC1(C)C2CC3=C(C=C2C2C=CC=CC21)C1C=CC=CC1N3
InChIInChI=1S/C21H23N/c1-21(2)17-9-5-3-7-13(17)15-11-16-14-8-4-6-10-19(14)22-20(16)12-18(15)21/h3-11,13-14,17-19,22H,12H2,1-2H3
InChIKeyRZVMGIPUOBPPJH-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.30
Rot. Bonds

About 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole

7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole (PubChem CID 71235736) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole
PubChem CID71235736
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole
SMILESCC1(C)C2CC3=C(C=C2C2C=CC=CC21)C1C=CC=CC1N3
InChIInChI=1S/C21H23N/c1-21(2)17-9-5-3-7-13(17)15-11-16-14-8-4-6-10-19(14)22-20(16)12-18(15)21/h3-11,13-14,17-19,22H,12H2,1-2H3
InChIKeyRZVMGIPUOBPPJH-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole with MolForge

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Related Compounds

1'-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-5-fluorospiro[1,2,4,5-tetrahydroindole-3,4'-piperidine]
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(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2,4-trien-6-amine
CID 162848977
CID 70887289
CID 70887289
3-[(Z)-dodec-7-en-3-yl]-2-(2-methylpentan-3-yl)-2,3,6,7-tetrahydro-1H-indole
CID 71043479
(4aR)-7,7-dimethyl-5,6,6a,8,9,12b-hexahydro-4aH-indeno[2,1-b]carbazole
CID 71110121
11-Methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole
CID 71114365
(4aR)-11,11-dimethyl-2,4a,5,6a,6b,9,10,10a,11a,12b-decahydro-1H-indeno[1,2-b]carbazole
CID 71114662
(Z)-3-[(7aS)-5-cyclohexa-2,4-dien-1-yl-3,5-dimethyl-1,4,4a,7a-tetrahydrocyclopenta[b]pyridin-6-yl]-2-methylprop-2-en-1-amine
CID 71192692
4,4a-Dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
CID 71234785
6-cyclohex-2-en-1-yl-1-methyl-2,4b,8a,9-tetrahydro-1H-carbazole
CID 71234807
4,4a,5-Trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
CID 71234824
3-(3,4,4a,5,6,9a-Hexahydrocarbazol-9-yl)-1-(1-methylcyclohex-2-en-1-yl)propan-1-amine
CID 71234835

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole (CID 71235736) is 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole is CC1(C)C2CC3=C(C=C2C2C=CC=CC21)C1C=CC=CC1N3.
What is the InChIKey of 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole?
The InChIKey is RZVMGIPUOBPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-21(2)17-9-5-3-7-13(17)15-11-16-14-8-4-6-10-19(14)22-20(16)12-18(15)21/h3-11,13-14,17-19,22H,12H2,1-2H3.
What are the key properties of 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole?
7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole has a molecular weight of 289.42 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,6,6a,7a,11a,12b-hexahydro-4aH-indeno[2,1-b]carbazole is sourced from PubChem (CID 71235736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).