2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone

C24H20N4O2 — CID 155537639

IUPAC2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C24H20N4O2/c1-30-19-8-6-7-17(13-19)24(29)16-27-14-18(25-26-27)15-28-22-11-4-2-9-20(22)21-10-3-5-12-23(21)28/h2-14H,15-16H2,1H3
InChIKeyOPTQCAKSDKXFKS-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.33
Rot. Bonds6

About 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone

2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone (PubChem CID 155537639) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone
PubChem CID155537639
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C24H20N4O2/c1-30-19-8-6-7-17(13-19)24(29)16-27-14-18(25-26-27)15-28-22-11-4-2-9-20(22)21-10-3-5-12-23(21)28/h2-14H,15-16H2,1H3
InChIKeyOPTQCAKSDKXFKS-UHFFFAOYSA-N
XLogP4.33
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone (CID 155537639) is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1.
What is the InChIKey of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone?
The InChIKey is OPTQCAKSDKXFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-19-8-6-7-17(13-19)24(29)16-27-14-18(25-26-27)15-28-22-11-4-2-9-20(22)21-10-3-5-12-23(21)28/h2-14H,15-16H2,1H3.
What are the key properties of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone?
2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone has a molecular weight of 396.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 155537639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).