2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone

C23H18N4O — CID 155550424

IUPAC2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccccc1
InChIInChI=1S/C23H18N4O/c28-23(17-8-2-1-3-9-17)16-26-14-18(24-25-26)15-27-21-12-6-4-10-19(21)20-11-5-7-13-22(20)27/h1-14H,15-16H2
InChIKeyIWLDOZJSJPHRDQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.32
Rot. Bonds5

About 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone

2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone (PubChem CID 155550424) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone
PubChem CID155550424
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccccc1
InChIInChI=1S/C23H18N4O/c28-23(17-8-2-1-3-9-17)16-26-14-18(24-25-26)15-27-21-12-6-4-10-19(21)20-11-5-7-13-22(20)27/h1-14H,15-16H2
InChIKeyIWLDOZJSJPHRDQ-UHFFFAOYSA-N
XLogP4.32
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone (CID 155550424) is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone is O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccccc1.
What is the InChIKey of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone?
The InChIKey is IWLDOZJSJPHRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23(17-8-2-1-3-9-17)16-26-14-18(24-25-26)15-27-21-12-6-4-10-19(21)20-11-5-7-13-22(20)27/h1-14H,15-16H2.
What are the key properties of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone?
2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone has a molecular weight of 366.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 155550424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).