9-cyclononylcarbazole

C21H25N — CID 139570160

IUPAC9-cyclononylcarbazole
SMILESc1ccc2c(c1)c1ccccc1n2C1CCCCCCCC1
InChIInChI=1S/C21H25N/c1-2-4-6-12-17(11-5-3-1)22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)22/h7-10,13-17H,1-6,11-12H2
InChIKeyDOIUUTNBIZBWGG-UHFFFAOYSA-N
MW291.44 g/mol
LogP6.47
Rot. Bonds1

About 9-cyclononylcarbazole

9-cyclononylcarbazole (PubChem CID 139570160) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 9-cyclononylcarbazole.

Molecular Properties

Compound Name9-cyclononylcarbazole
PubChem CID139570160
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name9-cyclononylcarbazole
SMILESc1ccc2c(c1)c1ccccc1n2C1CCCCCCCC1
InChIInChI=1S/C21H25N/c1-2-4-6-12-17(11-5-3-1)22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)22/h7-10,13-17H,1-6,11-12H2
InChIKeyDOIUUTNBIZBWGG-UHFFFAOYSA-N
XLogP6.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-cyclononylcarbazole?
The IUPAC name of 9-cyclononylcarbazole (CID 139570160) is 9-cyclononylcarbazole.
What is the SMILES notation for 9-cyclononylcarbazole?
The canonical SMILES for 9-cyclononylcarbazole is c1ccc2c(c1)c1ccccc1n2C1CCCCCCCC1.
What is the InChIKey of 9-cyclononylcarbazole?
The InChIKey is DOIUUTNBIZBWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-2-4-6-12-17(11-5-3-1)22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)22/h7-10,13-17H,1-6,11-12H2.
What are the key properties of 9-cyclononylcarbazole?
9-cyclononylcarbazole has a molecular weight of 291.44 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclononylcarbazole is sourced from PubChem (CID 139570160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).