1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

C24H22N4O2S — CID 654999

IUPAC1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
SMILESC=CCn1c(SCC(O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccco1
InChIInChI=1S/C24H22N4O2S/c1-2-13-27-23(22-12-7-14-30-22)25-26-24(27)31-16-17(29)15-28-20-10-5-3-8-18(20)19-9-4-6-11-21(19)28/h2-12,14,17,29H,1,13,15-16H2
InChIKeyWRIXKIOESWXNQA-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.99
Rot. Bonds8

About 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (PubChem CID 654999) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
PubChem CID654999
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
SMILESC=CCn1c(SCC(O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccco1
InChIInChI=1S/C24H22N4O2S/c1-2-13-27-23(22-12-7-14-30-22)25-26-24(27)31-16-17(29)15-28-20-10-5-3-8-18(20)19-9-4-6-11-21(19)28/h2-12,14,17,29H,1,13,15-16H2
InChIKeyWRIXKIOESWXNQA-UHFFFAOYSA-N
XLogP4.99
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol (CID 654999) is 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol is C=CCn1c(SCC(O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccco1.
What is the InChIKey of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
The InChIKey is WRIXKIOESWXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-2-13-27-23(22-12-7-14-30-22)25-26-24(27)31-16-17(29)15-28-20-10-5-3-8-18(20)19-9-4-6-11-21(19)28/h2-12,14,17,29H,1,13,15-16H2.
What are the key properties of 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol?
1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol has a molecular weight of 430.53 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 654999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).