(6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone

C28H21NO2 — CID 19778723

IUPAC(6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C28H21NO2/c1-2-29-25-15-13-21(27(30)19-9-5-3-6-10-19)17-23(25)24-18-22(14-16-26(24)29)28(31)20-11-7-4-8-12-20/h3-18H,2H2,1H3
InChIKeyNODANINDNIWPQL-UHFFFAOYSA-N
MW403.48 g/mol
LogP6.28
Rot. Bonds5

About (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone

(6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone (PubChem CID 19778723) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone
PubChem CID19778723
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name(6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C28H21NO2/c1-2-29-25-15-13-21(27(30)19-9-5-3-6-10-19)17-23(25)24-18-22(14-16-26(24)29)28(31)20-11-7-4-8-12-20/h3-18H,2H2,1H3
InChIKeyNODANINDNIWPQL-UHFFFAOYSA-N
XLogP6.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone?
The IUPAC name of (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone (CID 19778723) is (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone.
What is the SMILES notation for (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone?
The canonical SMILES for (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone is CCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone?
The InChIKey is NODANINDNIWPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2/c1-2-29-25-15-13-21(27(30)19-9-5-3-6-10-19)17-23(25)24-18-22(14-16-26(24)29)28(31)20-11-7-4-8-12-20/h3-18H,2H2,1H3.
What are the key properties of (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone?
(6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone has a molecular weight of 403.48 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzoyl-9-ethylcarbazol-3-yl)-phenylmethanone is sourced from PubChem (CID 19778723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).