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

C34H44N2 — CID 23132055

IUPAC5,11-dioctylindolo[3,2-b]carbazole
SMILESCCCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CCCCCCCC
InChIInChI=1S/C34H44N2/c1-3-5-7-9-11-17-23-35-31-21-15-13-19-27(31)29-26-34-30(25-33(29)35)28-20-14-16-22-32(28)36(34)24-18-12-10-8-6-4-2/h13-16,19-22,25-26H,3-12,17-18,23-24H2,1-2H3
InChIKeyUDTPZOVDFSZBTA-UHFFFAOYSA-N
MW480.74 g/mol
LogP10.62
Rot. Bonds14

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

5,11-dioctylindolo[3,2-b]carbazole (PubChem CID 23132055) has the molecular formula C34H44N2 and a molecular weight of 480.74 g/mol. Its IUPAC name is 5,11-dioctylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-dioctylindolo[3,2-b]carbazole
PubChem CID23132055
Molecular FormulaC34H44N2
Molecular Weight480.74 g/mol
Exact Mass480.35
IUPAC Name5,11-dioctylindolo[3,2-b]carbazole
SMILESCCCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CCCCCCCC
InChIInChI=1S/C34H44N2/c1-3-5-7-9-11-17-23-35-31-21-15-13-19-27(31)29-26-34-30(25-33(29)35)28-20-14-16-22-32(28)36(34)24-18-12-10-8-6-4-2/h13-16,19-22,25-26H,3-12,17-18,23-24H2,1-2H3
InChIKeyUDTPZOVDFSZBTA-UHFFFAOYSA-N
XLogP10.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.74
LogP ≤ 510.62
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-dioctylindolo[3,2-b]carbazole?
The IUPAC name of 5,11-dioctylindolo[3,2-b]carbazole (CID 23132055) is 5,11-dioctylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-dioctylindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-dioctylindolo[3,2-b]carbazole is CCCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3CCCCCCCC.
What is the InChIKey of 5,11-dioctylindolo[3,2-b]carbazole?
The InChIKey is UDTPZOVDFSZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2/c1-3-5-7-9-11-17-23-35-31-21-15-13-19-27(31)29-26-34-30(25-33(29)35)28-20-14-16-22-32(28)36(34)24-18-12-10-8-6-4-2/h13-16,19-22,25-26H,3-12,17-18,23-24H2,1-2H3.
What are the key properties of 5,11-dioctylindolo[3,2-b]carbazole?
5,11-dioctylindolo[3,2-b]carbazole has a molecular weight of 480.74 g/mol, XLogP of 10.62, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dioctylindolo[3,2-b]carbazole is sourced from PubChem (CID 23132055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).