9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole

C32H36N3+ — CID 71416434

IUPAC9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1
InChIInChI=1S/C32H36N3/c1(3-5-11-23-34-25-19-28(20-26-34)27-17-21-33-22-18-27)2-4-6-12-24-35-31-15-9-7-13-29(31)30-14-8-10-16-32(30)35/h7-10,13-22,25-26H,1-6,11-12,23-24H2/q+1
InChIKeyFHPKKYSWRDVIQU-UHFFFAOYSA-N
MW462.66 g/mol
LogP7.97
Rot. Bonds12

About 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole

9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole (PubChem CID 71416434) has the molecular formula C32H36N3+ and a molecular weight of 462.66 g/mol. Its IUPAC name is 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole.

Molecular Properties

Compound Name9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole
PubChem CID71416434
Molecular FormulaC32H36N3+
Molecular Weight462.66 g/mol
Exact Mass462.29
IUPAC Name9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1
InChIInChI=1S/C32H36N3/c1(3-5-11-23-34-25-19-28(20-26-34)27-17-21-33-22-18-27)2-4-6-12-24-35-31-15-9-7-13-29(31)30-14-8-10-16-32(30)35/h7-10,13-22,25-26H,1-6,11-12,23-24H2/q+1
InChIKeyFHPKKYSWRDVIQU-UHFFFAOYSA-N
XLogP7.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(6-carbazol-9-ylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid
CID 102530596
4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium
CID 11006947
5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419
4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide
CID 70685881
1-heptyl-4-pyridin-4-ylpyridin-1-ium;bromide;hydrobromide
CID 174776003
1-undecyl-2-(1-undecylpyridin-1-ium-4-yl)quinolin-4-one bromide
CID 73346361
1-pentyl-2-(1-pentylpyridin-1-ium-4-yl)quinolin-4-one
CID 73352440
9-(6-chlorohexyl)carbazole
CID 63465812
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
9-(6-iodohexyl)carbazole
CID 15110912
4-pyridin-4-yl-1-[4-[1-[2-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutyl]pyridin-1-ium dibromide
CID 139247416

Frequently Asked Questions

What is the IUPAC name of 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole?
The IUPAC name of 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole (CID 71416434) is 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole.
What is the SMILES notation for 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole?
The canonical SMILES for 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole is c1ccc2c(c1)c1ccccc1n2CCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1.
What is the InChIKey of 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole?
The InChIKey is FHPKKYSWRDVIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N3/c1(3-5-11-23-34-25-19-28(20-26-34)27-17-21-33-22-18-27)2-4-6-12-24-35-31-15-9-7-13-29(31)30-14-8-10-16-32(30)35/h7-10,13-22,25-26H,1-6,11-12,23-24H2/q+1.
What are the key properties of 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole?
9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole has a molecular weight of 462.66 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole is sourced from PubChem (CID 71416434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).