1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone

C34H24N2O2 — CID 71241868

IUPAC1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-n2c3ccccc3c3ccccc32)c(C(C)=O)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H24N2O2/c1-21(37)27-19-34(36-31-17-9-5-13-25(31)26-14-6-10-18-32(26)36)28(22(2)38)20-33(27)35-29-15-7-3-11-23(29)24-12-4-8-16-30(24)35/h3-20H,1-2H3
InChIKeyJETHXCGXVPKEDE-UHFFFAOYSA-N
MW492.58 g/mol
LogP8.29
Rot. Bonds4

About 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone

1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone (PubChem CID 71241868) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone
PubChem CID71241868
Molecular FormulaC34H24N2O2
Molecular Weight492.58 g/mol
Exact Mass492.18
IUPAC Name1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-n2c3ccccc3c3ccccc32)c(C(C)=O)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H24N2O2/c1-21(37)27-19-34(36-31-17-9-5-13-25(31)26-14-6-10-18-32(26)36)28(22(2)38)20-33(27)35-29-15-7-3-11-23(29)24-12-4-8-16-30(24)35/h3-20H,1-2H3
InChIKeyJETHXCGXVPKEDE-UHFFFAOYSA-N
XLogP8.29
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone?
The IUPAC name of 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone (CID 71241868) is 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone is CC(=O)c1cc(-n2c3ccccc3c3ccccc32)c(C(C)=O)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone?
The InChIKey is JETHXCGXVPKEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O2/c1-21(37)27-19-34(36-31-17-9-5-13-25(31)26-14-6-10-18-32(26)36)28(22(2)38)20-33(27)35-29-15-7-3-11-23(29)24-12-4-8-16-30(24)35/h3-20H,1-2H3.
What are the key properties of 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone?
1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone has a molecular weight of 492.58 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-2,5-di(carbazol-9-yl)phenyl]ethanone is sourced from PubChem (CID 71241868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).