1-bromo-9-heptadecylcarbazole

C29H42BrN — CID 174836685

IUPAC1-bromo-9-heptadecylcarbazole
SMILESCCCCCCCCCCCCCCCCCn1c2ccccc2c2cccc(Br)c21
InChIInChI=1S/C29H42BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-31-28-23-17-16-20-25(28)26-21-19-22-27(30)29(26)31/h16-17,19-23H,2-15,18,24H2,1H3
InChIKeyDTGNYPIQGRGUMN-UHFFFAOYSA-N
MW484.57 g/mol
LogP10.43
Rot. Bonds16

About 1-bromo-9-heptadecylcarbazole

1-bromo-9-heptadecylcarbazole (PubChem CID 174836685) has the molecular formula C29H42BrN and a molecular weight of 484.57 g/mol. Its IUPAC name is 1-bromo-9-heptadecylcarbazole.

Molecular Properties

Compound Name1-bromo-9-heptadecylcarbazole
PubChem CID174836685
Molecular FormulaC29H42BrN
Molecular Weight484.57 g/mol
Exact Mass483.25
IUPAC Name1-bromo-9-heptadecylcarbazole
SMILESCCCCCCCCCCCCCCCCCn1c2ccccc2c2cccc(Br)c21
InChIInChI=1S/C29H42BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-31-28-23-17-16-20-25(28)26-21-19-22-27(30)29(26)31/h16-17,19-23H,2-15,18,24H2,1H3
InChIKeyDTGNYPIQGRGUMN-UHFFFAOYSA-N
XLogP10.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromo-9-heptadecylcarbazole?
The IUPAC name of 1-bromo-9-heptadecylcarbazole (CID 174836685) is 1-bromo-9-heptadecylcarbazole.
What is the SMILES notation for 1-bromo-9-heptadecylcarbazole?
The canonical SMILES for 1-bromo-9-heptadecylcarbazole is CCCCCCCCCCCCCCCCCn1c2ccccc2c2cccc(Br)c21.
What is the InChIKey of 1-bromo-9-heptadecylcarbazole?
The InChIKey is DTGNYPIQGRGUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-31-28-23-17-16-20-25(28)26-21-19-22-27(30)29(26)31/h16-17,19-23H,2-15,18,24H2,1H3.
What are the key properties of 1-bromo-9-heptadecylcarbazole?
1-bromo-9-heptadecylcarbazole has a molecular weight of 484.57 g/mol, XLogP of 10.43, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-heptadecylcarbazole is sourced from PubChem (CID 174836685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).