9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole

C21H23N — CID 91143240

IUPAC9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2C1CC2CCCCC2C1
InChIInChI=1S/C21H23N/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,15-17H,1-2,7-8,13-14H2
InChIKeyDVJRPUDOTJAAGM-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.94
Rot. Bonds1

About 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole

9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole (PubChem CID 91143240) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole.

Molecular Properties

Compound Name9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole
PubChem CID91143240
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2C1CC2CCCCC2C1
InChIInChI=1S/C21H23N/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,15-17H,1-2,7-8,13-14H2
InChIKeyDVJRPUDOTJAAGM-UHFFFAOYSA-N
XLogP5.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole?
The IUPAC name of 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole (CID 91143240) is 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole.
What is the SMILES notation for 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole?
The canonical SMILES for 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole is c1ccc2c(c1)c1ccccc1n2C1CC2CCCCC2C1.
What is the InChIKey of 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole?
The InChIKey is DVJRPUDOTJAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,15-17H,1-2,7-8,13-14H2.
What are the key properties of 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole?
9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole has a molecular weight of 289.42 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole is sourced from PubChem (CID 91143240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).