dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate

C26H24INO4 — CID 126737105

IUPACdipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate
SMILESCCCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCCC)ccc1n2-c1ccc(I)cc1
InChIInChI=1S/C26H24INO4/c1-3-13-31-25(29)17-5-11-23-21(15-17)22-16-18(26(30)32-14-4-2)6-12-24(22)28(23)20-9-7-19(27)8-10-20/h5-12,15-16H,3-4,13-14H2,1-2H3
InChIKeyFUYDKQJVZUASMA-UHFFFAOYSA-N
MW541.39 g/mol
LogP6.52
Rot. Bonds7

About dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate

dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate (PubChem CID 126737105) has the molecular formula C26H24INO4 and a molecular weight of 541.39 g/mol. Its IUPAC name is dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate.

Molecular Properties

Compound Namedipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate
PubChem CID126737105
Molecular FormulaC26H24INO4
Molecular Weight541.39 g/mol
Exact Mass541.08
IUPAC Namedipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate
SMILESCCCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCCC)ccc1n2-c1ccc(I)cc1
InChIInChI=1S/C26H24INO4/c1-3-13-31-25(29)17-5-11-23-21(15-17)22-16-18(26(30)32-14-4-2)6-12-24(22)28(23)20-9-7-19(27)8-10-20/h5-12,15-16H,3-4,13-14H2,1-2H3
InChIKeyFUYDKQJVZUASMA-UHFFFAOYSA-N
XLogP6.52
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.39
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate?
The IUPAC name of dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate (CID 126737105) is dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate.
What is the SMILES notation for dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate?
The canonical SMILES for dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate is CCCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCCC)ccc1n2-c1ccc(I)cc1.
What is the InChIKey of dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate?
The InChIKey is FUYDKQJVZUASMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24INO4/c1-3-13-31-25(29)17-5-11-23-21(15-17)22-16-18(26(30)32-14-4-2)6-12-24(22)28(23)20-9-7-19(27)8-10-20/h5-12,15-16H,3-4,13-14H2,1-2H3.
What are the key properties of dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate?
dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate has a molecular weight of 541.39 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 9-(4-iodophenyl)carbazole-3,6-dicarboxylate is sourced from PubChem (CID 126737105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).