1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one

C26H25N5O — CID 45483915

IUPAC1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one
SMILESO=C(CCCCCCn1cc(-c2cccnc2)nn1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H25N5O/c32-26(31-24-13-6-4-11-21(24)22-12-5-7-14-25(22)31)15-3-1-2-8-17-30-19-23(28-29-30)20-10-9-16-27-18-20/h4-7,9-14,16,18-19H,1-3,8,15,17H2
InChIKeyGQHHBDMALPGTRT-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.74
Rot. Bonds8

About 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one

1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one (PubChem CID 45483915) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one.

Molecular Properties

Compound Name1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one
PubChem CID45483915
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one
SMILESO=C(CCCCCCn1cc(-c2cccnc2)nn1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H25N5O/c32-26(31-24-13-6-4-11-21(24)22-12-5-7-14-25(22)31)15-3-1-2-8-17-30-19-23(28-29-30)20-10-9-16-27-18-20/h4-7,9-14,16,18-19H,1-3,8,15,17H2
InChIKeyGQHHBDMALPGTRT-UHFFFAOYSA-N
XLogP5.74
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one?
The IUPAC name of 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one (CID 45483915) is 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one.
What is the SMILES notation for 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one?
The canonical SMILES for 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one is O=C(CCCCCCn1cc(-c2cccnc2)nn1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one?
The InChIKey is GQHHBDMALPGTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(31-24-13-6-4-11-21(24)22-12-5-7-14-25(22)31)15-3-1-2-8-17-30-19-23(28-29-30)20-10-9-16-27-18-20/h4-7,9-14,16,18-19H,1-3,8,15,17H2.
What are the key properties of 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one?
1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one has a molecular weight of 423.52 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-7-(4-pyridin-3-yltriazol-1-yl)heptan-1-one is sourced from PubChem (CID 45483915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).