(9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone

C26H21NO — CID 56651693

IUPAC(9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(C)c4ccccc34)ccc21
InChIInChI=1S/C26H21NO/c1-3-27-24-11-7-6-10-21(24)23-16-18(13-15-25(23)27)26(28)22-14-12-17(2)19-8-4-5-9-20(19)22/h4-16H,3H2,1-2H3
InChIKeyJHYURZUKNMASQT-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.51
Rot. Bonds3

About (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone

(9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone (PubChem CID 56651693) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
PubChem CID56651693
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name(9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(C)c4ccccc34)ccc21
InChIInChI=1S/C26H21NO/c1-3-27-24-11-7-6-10-21(24)23-16-18(13-15-25(23)27)26(28)22-14-12-17(2)19-8-4-5-9-20(19)22/h4-16H,3H2,1-2H3
InChIKeyJHYURZUKNMASQT-UHFFFAOYSA-N
XLogP6.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.51
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-methylnaphthalen-1-yl)methanone?
The IUPAC name of (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone (CID 56651693) is (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone is CCn1c2ccccc2c2cc(C(=O)c3ccc(C)c4ccccc34)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is JHYURZUKNMASQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-3-27-24-11-7-6-10-21(24)23-16-18(13-15-25(23)27)26(28)22-14-12-17(2)19-8-4-5-9-20(19)22/h4-16H,3H2,1-2H3.
What are the key properties of (9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone?
(9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 6.51, 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-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 56651693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).