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

C23H21BrN2 — CID 23583607

IUPAC12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
SMILESCCCCCc1c2[nH]c3ccccc3c2c(Br)c2[nH]c3ccccc3c12
InChIInChI=1S/C23H21BrN2/c1-2-3-4-11-16-19-14-9-5-7-12-17(14)26-23(19)21(24)20-15-10-6-8-13-18(15)25-22(16)20/h5-10,12-13,25-26H,2-4,11H2,1H3
InChIKeyFFTCHVZCVFJPDX-UHFFFAOYSA-N
MW405.34 g/mol
LogP7.45
Rot. Bonds4

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

12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole (PubChem CID 23583607) has the molecular formula C23H21BrN2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
PubChem CID23583607
Molecular FormulaC23H21BrN2
Molecular Weight405.34 g/mol
Exact Mass404.09
IUPAC Name12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
SMILESCCCCCc1c2[nH]c3ccccc3c2c(Br)c2[nH]c3ccccc3c12
InChIInChI=1S/C23H21BrN2/c1-2-3-4-11-16-19-14-9-5-7-12-17(14)26-23(19)21(24)20-15-10-6-8-13-18(15)25-22(16)20/h5-10,12-13,25-26H,2-4,11H2,1H3
InChIKeyFFTCHVZCVFJPDX-UHFFFAOYSA-N
XLogP7.45
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 57.45
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

9-bromo-10-hexylanthracene
CID 141284839
1,2,3,4-tetrabromo-9H-carbazole
CID 70631482
1-nonyl-9H-carbazole
CID 66872642
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
10-octylanthracen-9-amine
CID 87887624
1-ethyl-2-nonyl-9H-carbazole
CID 142709978
2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
CID 138966554
1-heptyl-3-methoxy-2-methyl-9H-carbazole
CID 3071880
9,10-dibutylanthracene
CID 605822
5-bromo-3-pentyl-2-phenyl-1H-indole
CID 68813934

Frequently Asked Questions

What is the IUPAC name of 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole (CID 23583607) is 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole is CCCCCc1c2[nH]c3ccccc3c2c(Br)c2[nH]c3ccccc3c12.
What is the InChIKey of 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
The InChIKey is FFTCHVZCVFJPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2/c1-2-3-4-11-16-19-14-9-5-7-12-17(14)26-23(19)21(24)20-15-10-6-8-13-18(15)25-22(16)20/h5-10,12-13,25-26H,2-4,11H2,1H3.
What are the key properties of 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole?
12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole has a molecular weight of 405.34 g/mol, XLogP of 7.45, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 23583607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).