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

C24H20N4O — CID 155518859

IUPAC2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C24H20N4O/c1-17-7-6-8-18(13-17)24(29)16-27-14-19(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
InChIKeyWOLHYIJKXVZRSR-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.63
Rot. Bonds5

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

2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone (PubChem CID 155518859) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone
PubChem CID155518859
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C24H20N4O/c1-17-7-6-8-18(13-17)24(29)16-27-14-19(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
InChIKeyWOLHYIJKXVZRSR-UHFFFAOYSA-N
XLogP4.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.63
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-(3-methylphenyl)ethanone?
The IUPAC name of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone (CID 155518859) is 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1.
What is the InChIKey of 2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone?
The InChIKey is WOLHYIJKXVZRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-17-7-6-8-18(13-17)24(29)16-27-14-19(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-methylphenyl)ethanone?
2-[4-(carbazol-9-ylmethyl)triazol-1-yl]-1-(3-methylphenyl)ethanone has a molecular weight of 380.45 g/mol, XLogP of 4.63, 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-(3-methylphenyl)ethanone is sourced from PubChem (CID 155518859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).