5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride

C20H25Br2ClN2 — CID 71526745

IUPAC5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride
SMILESC[N+](C)(C)CCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21.[Cl-]
InChIInChI=1S/C20H25Br2N2.ClH/c1-24(2,3)12-6-4-5-11-23-19-9-7-15(21)13-17(19)18-14-16(22)8-10-20(18)23;/h7-10,13-14H,4-6,11-12H2,1-3H3;1H/q+1;/p-1
InChIKeyGYDHQSBIPOHCIM-UHFFFAOYSA-M
MW488.70 g/mol
LogP3.20
Rot. Bonds6

About 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride

5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride (PubChem CID 71526745) has the molecular formula C20H25Br2ClN2 and a molecular weight of 488.70 g/mol. Its IUPAC name is 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride.

Molecular Properties

Compound Name5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride
PubChem CID71526745
Molecular FormulaC20H25Br2ClN2
Molecular Weight488.70 g/mol
Exact Mass486.01
IUPAC Name5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride
SMILESC[N+](C)(C)CCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21.[Cl-]
InChIInChI=1S/C20H25Br2N2.ClH/c1-24(2,3)12-6-4-5-11-23-19-9-7-15(21)13-17(19)18-14-16(22)8-10-20(18)23;/h7-10,13-14H,4-6,11-12H2,1-3H3;1H/q+1;/p-1
InChIKeyGYDHQSBIPOHCIM-UHFFFAOYSA-M
XLogP3.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.70
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride?
The IUPAC name of 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride (CID 71526745) is 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride.
What is the SMILES notation for 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride?
The canonical SMILES for 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride is C[N+](C)(C)CCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21.[Cl-].
What is the InChIKey of 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride?
The InChIKey is GYDHQSBIPOHCIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H25Br2N2.ClH/c1-24(2,3)12-6-4-5-11-23-19-9-7-15(21)13-17(19)18-14-16(22)8-10-20(18)23;/h7-10,13-14H,4-6,11-12H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride?
5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride has a molecular weight of 488.70 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium chloride is sourced from PubChem (CID 71526745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).