2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole

C29H34N2 — CID 138966554

IUPAC2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
SMILESCCCCCc1c2[nH]c3ccc(CC)cc3c2c(CC)c2[nH]c3ccc(CC)cc3c12
InChIInChI=1S/C29H34N2/c1-5-9-10-11-21-27-23-17-19(7-3)13-15-25(23)30-28(27)20(8-4)26-22-16-18(6-2)12-14-24(22)31-29(21)26/h12-17,30-31H,5-11H2,1-4H3
InChIKeyQFFCLHKGQQMSBF-UHFFFAOYSA-N
MW410.61 g/mol
LogP8.38
Rot. Bonds7

About 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole

2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole (PubChem CID 138966554) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
PubChem CID138966554
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
SMILESCCCCCc1c2[nH]c3ccc(CC)cc3c2c(CC)c2[nH]c3ccc(CC)cc3c12
InChIInChI=1S/C29H34N2/c1-5-9-10-11-21-27-23-17-19(7-3)13-15-25(23)30-28(27)20(8-4)26-22-16-18(6-2)12-14-24(22)31-29(21)26/h12-17,30-31H,5-11H2,1-4H3
InChIKeyQFFCLHKGQQMSBF-UHFFFAOYSA-N
XLogP8.38
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
CID 23583607
10-tetradecyl-7H-benzo[c]carbazole
CID 4557971
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
4-[3-(4-aminobutyl)-5-ethyl-1H-indol-2-yl]-N,N-dimethylaniline
CID 3525871
1-ethyl-4-octacosylbenzene
CID 175218304
3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891
1-ethyl-2-nonyl-9H-carbazole
CID 142709978
10-ethyl-7H-benzo[c]carbazole
CID 131998873
1,4-diethylbenzene;heptane
CID 175370860
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium
CID 2060969
7-ethyl-3-hexyl-1H-quinolin-2-one
CID 70425300

Frequently Asked Questions

What is the IUPAC name of 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole (CID 138966554) is 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole is CCCCCc1c2[nH]c3ccc(CC)cc3c2c(CC)c2[nH]c3ccc(CC)cc3c12.
What is the InChIKey of 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
The InChIKey is QFFCLHKGQQMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2/c1-5-9-10-11-21-27-23-17-19(7-3)13-15-25(23)30-28(27)20(8-4)26-22-16-18(6-2)12-14-24(22)31-29(21)26/h12-17,30-31H,5-11H2,1-4H3.
What are the key properties of 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole has a molecular weight of 410.61 g/mol, XLogP of 8.38, 7 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 138966554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).