1-heptyl-3-methoxy-2,9-dimethylcarbazole

C22H29NO — CID 3079620

IUPAC1-heptyl-3-methoxy-2,9-dimethylcarbazole
SMILESCCCCCCCc1c(C)c(OC)cc2c3ccccc3n(C)c12
InChIInChI=1S/C22H29NO/c1-5-6-7-8-9-12-17-16(2)21(24-4)15-19-18-13-10-11-14-20(18)23(3)22(17)19/h10-11,13-15H,5-9,12H2,1-4H3
InChIKeyNXUSOCABQGWMCS-UHFFFAOYSA-N
MW323.48 g/mol
LogP6.16
Rot. Bonds7

About 1-heptyl-3-methoxy-2,9-dimethylcarbazole

1-heptyl-3-methoxy-2,9-dimethylcarbazole (PubChem CID 3079620) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-heptyl-3-methoxy-2,9-dimethylcarbazole.

Molecular Properties

Compound Name1-heptyl-3-methoxy-2,9-dimethylcarbazole
PubChem CID3079620
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name1-heptyl-3-methoxy-2,9-dimethylcarbazole
SMILESCCCCCCCc1c(C)c(OC)cc2c3ccccc3n(C)c12
InChIInChI=1S/C22H29NO/c1-5-6-7-8-9-12-17-16(2)21(24-4)15-19-18-13-10-11-14-20(18)23(3)22(17)19/h10-11,13-15H,5-9,12H2,1-4H3
InChIKeyNXUSOCABQGWMCS-UHFFFAOYSA-N
XLogP6.16
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-methoxy-2,9-dimethylcarbazole?
The IUPAC name of 1-heptyl-3-methoxy-2,9-dimethylcarbazole (CID 3079620) is 1-heptyl-3-methoxy-2,9-dimethylcarbazole.
What is the SMILES notation for 1-heptyl-3-methoxy-2,9-dimethylcarbazole?
The canonical SMILES for 1-heptyl-3-methoxy-2,9-dimethylcarbazole is CCCCCCCc1c(C)c(OC)cc2c3ccccc3n(C)c12.
What is the InChIKey of 1-heptyl-3-methoxy-2,9-dimethylcarbazole?
The InChIKey is NXUSOCABQGWMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-5-6-7-8-9-12-17-16(2)21(24-4)15-19-18-13-10-11-14-20(18)23(3)22(17)19/h10-11,13-15H,5-9,12H2,1-4H3.
What are the key properties of 1-heptyl-3-methoxy-2,9-dimethylcarbazole?
1-heptyl-3-methoxy-2,9-dimethylcarbazole has a molecular weight of 323.48 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-methoxy-2,9-dimethylcarbazole is sourced from PubChem (CID 3079620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).