5,11-didodecylindolo[3,2-b]carbazole

C42H60N2 — CID 58800348

IUPAC5,11-didodecylindolo[3,2-b]carbazole
SMILESCCCCCCCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CCCCCCCCCCCC
InChIInChI=1S/C42H60N2/c1-3-5-7-9-11-13-15-17-19-25-31-43-39-29-23-21-27-35(39)37-34-42-38(33-41(37)43)36-28-22-24-30-40(36)44(42)32-26-20-18-16-14-12-10-8-6-4-2/h21-24,27-30,33-34H,3-20,25-26,31-32H2,1-2H3
InChIKeyAFBGGOJZAVUQIK-UHFFFAOYSA-N
MW592.96 g/mol
LogP13.74
Rot. Bonds22

About 5,11-didodecylindolo[3,2-b]carbazole

5,11-didodecylindolo[3,2-b]carbazole (PubChem CID 58800348) has the molecular formula C42H60N2 and a molecular weight of 592.96 g/mol. Its IUPAC name is 5,11-didodecylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-didodecylindolo[3,2-b]carbazole
PubChem CID58800348
Molecular FormulaC42H60N2
Molecular Weight592.96 g/mol
Exact Mass592.48
IUPAC Name5,11-didodecylindolo[3,2-b]carbazole
SMILESCCCCCCCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CCCCCCCCCCCC
InChIInChI=1S/C42H60N2/c1-3-5-7-9-11-13-15-17-19-25-31-43-39-29-23-21-27-35(39)37-34-42-38(33-41(37)43)36-28-22-24-30-40(36)44(42)32-26-20-18-16-14-12-10-8-6-4-2/h21-24,27-30,33-34H,3-20,25-26,31-32H2,1-2H3
InChIKeyAFBGGOJZAVUQIK-UHFFFAOYSA-N
XLogP13.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.96
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,11-didodecylindolo[3,2-b]carbazole?
The IUPAC name of 5,11-didodecylindolo[3,2-b]carbazole (CID 58800348) is 5,11-didodecylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-didodecylindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-didodecylindolo[3,2-b]carbazole is CCCCCCCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CCCCCCCCCCCC.
What is the InChIKey of 5,11-didodecylindolo[3,2-b]carbazole?
The InChIKey is AFBGGOJZAVUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H60N2/c1-3-5-7-9-11-13-15-17-19-25-31-43-39-29-23-21-27-35(39)37-34-42-38(33-41(37)43)36-28-22-24-30-40(36)44(42)32-26-20-18-16-14-12-10-8-6-4-2/h21-24,27-30,33-34H,3-20,25-26,31-32H2,1-2H3.
What are the key properties of 5,11-didodecylindolo[3,2-b]carbazole?
5,11-didodecylindolo[3,2-b]carbazole has a molecular weight of 592.96 g/mol, XLogP of 13.74, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-didodecylindolo[3,2-b]carbazole is sourced from PubChem (CID 58800348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).