9-(2-decyltetradecyl)carbazole

C36H57N — CID 86094421

IUPAC9-(2-decyltetradecyl)carbazole
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C36H57N/c1-3-5-7-9-11-13-14-16-18-20-26-32(25-19-17-15-12-10-8-6-4-2)31-37-35-29-23-21-27-33(35)34-28-22-24-30-36(34)37/h21-24,27-30,32H,3-20,25-26,31H2,1-2H3
InChIKeySADVWMKHOSUBQE-UHFFFAOYSA-N
MW503.86 g/mol
LogP12.25
Rot. Bonds22

About 9-(2-decyltetradecyl)carbazole

9-(2-decyltetradecyl)carbazole (PubChem CID 86094421) has the molecular formula C36H57N and a molecular weight of 503.86 g/mol. Its IUPAC name is 9-(2-decyltetradecyl)carbazole.

Molecular Properties

Compound Name9-(2-decyltetradecyl)carbazole
PubChem CID86094421
Molecular FormulaC36H57N
Molecular Weight503.86 g/mol
Exact Mass503.45
IUPAC Name9-(2-decyltetradecyl)carbazole
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C36H57N/c1-3-5-7-9-11-13-14-16-18-20-26-32(25-19-17-15-12-10-8-6-4-2)31-37-35-29-23-21-27-33(35)34-28-22-24-30-36(34)37/h21-24,27-30,32H,3-20,25-26,31H2,1-2H3
InChIKeySADVWMKHOSUBQE-UHFFFAOYSA-N
XLogP12.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.86
LogP ≤ 512.25
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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Related Compounds

9-(2-decyltetradecyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 171665990
9-(1-bromooctyl)carbazole
CID 174909531
2,9-bis(2-butyloctyl)-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
CID 102220061
9-[2-(bromomethyl)pentyl]carbazole
CID 65011374
15-(2-decyltetradecyl)-5,25-dithia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 122382230
9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole
CID 153380542
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
11-(2-hexyldecyl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132933810
benzene;9-octylcarbazole
CID 175067369
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
7-(2-decyltetradecyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 102167313

Frequently Asked Questions

What is the IUPAC name of 9-(2-decyltetradecyl)carbazole?
The IUPAC name of 9-(2-decyltetradecyl)carbazole (CID 86094421) is 9-(2-decyltetradecyl)carbazole.
What is the SMILES notation for 9-(2-decyltetradecyl)carbazole?
The canonical SMILES for 9-(2-decyltetradecyl)carbazole is CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(2-decyltetradecyl)carbazole?
The InChIKey is SADVWMKHOSUBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N/c1-3-5-7-9-11-13-14-16-18-20-26-32(25-19-17-15-12-10-8-6-4-2)31-37-35-29-23-21-27-33(35)34-28-22-24-30-36(34)37/h21-24,27-30,32H,3-20,25-26,31H2,1-2H3.
What are the key properties of 9-(2-decyltetradecyl)carbazole?
9-(2-decyltetradecyl)carbazole has a molecular weight of 503.86 g/mol, XLogP of 12.25, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-decyltetradecyl)carbazole is sourced from PubChem (CID 86094421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).