9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole

C32H34N2 — CID 142977873

IUPAC9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole
SMILESCc1ccc2c(c1)c1c(n2CCCCCn2c3ccccc3c3ccccc32)C=CC(C)(C)C1
InChIInChI=1S/C32H34N2/c1-23-15-16-30-26(21-23)27-22-32(2,3)18-17-31(27)34(30)20-10-4-9-19-33-28-13-7-5-11-24(28)25-12-6-8-14-29(25)33/h5-8,11-18,21H,4,9-10,19-20,22H2,1-3H3
InChIKeyHMOAAQWFQUNEGG-UHFFFAOYSA-N
MW446.64 g/mol
LogP8.52
Rot. Bonds6

About 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole

9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole (PubChem CID 142977873) has the molecular formula C32H34N2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole.

Molecular Properties

Compound Name9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole
PubChem CID142977873
Molecular FormulaC32H34N2
Molecular Weight446.64 g/mol
Exact Mass446.27
IUPAC Name9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole
SMILESCc1ccc2c(c1)c1c(n2CCCCCn2c3ccccc3c3ccccc32)C=CC(C)(C)C1
InChIInChI=1S/C32H34N2/c1-23-15-16-30-26(21-23)27-22-32(2,3)18-17-31(27)34(30)20-10-4-9-19-33-28-13-7-5-11-24(28)25-12-6-8-14-29(25)33/h5-8,11-18,21H,4,9-10,19-20,22H2,1-3H3
InChIKeyHMOAAQWFQUNEGG-UHFFFAOYSA-N
XLogP8.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 58.52
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 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole?
The IUPAC name of 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole (CID 142977873) is 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole.
What is the SMILES notation for 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole?
The canonical SMILES for 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole is Cc1ccc2c(c1)c1c(n2CCCCCn2c3ccccc3c3ccccc32)C=CC(C)(C)C1.
What is the InChIKey of 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole?
The InChIKey is HMOAAQWFQUNEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2/c1-23-15-16-30-26(21-23)27-22-32(2,3)18-17-31(27)34(30)20-10-4-9-19-33-28-13-7-5-11-24(28)25-12-6-8-14-29(25)33/h5-8,11-18,21H,4,9-10,19-20,22H2,1-3H3.
What are the key properties of 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole?
9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole has a molecular weight of 446.64 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole is sourced from PubChem (CID 142977873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).