(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone

C22H19NO — CID 71679265

IUPAC(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C22H19NO/c1-3-23-20-7-5-4-6-18(20)19-14-17(12-13-21(19)23)22(24)16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3
InChIKeyXAOSAGCPDVOOIN-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.35
Rot. Bonds3

About (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone

(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone (PubChem CID 71679265) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone
PubChem CID71679265
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C22H19NO/c1-3-23-20-7-5-4-6-18(20)19-14-17(12-13-21(19)23)22(24)16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3
InChIKeyXAOSAGCPDVOOIN-UHFFFAOYSA-N
XLogP5.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone (CID 71679265) is (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone is CCn1c2ccccc2c2cc(C(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone?
The InChIKey is XAOSAGCPDVOOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-3-23-20-7-5-4-6-18(20)19-14-17(12-13-21(19)23)22(24)16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3.
What are the key properties of (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone?
(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone has a molecular weight of 313.40 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 71679265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).