carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone

C24H17NO — CID 71679266

IUPACcarbazol-9-yl-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C24H17NO/c1-16-14-15-21(18-9-3-2-8-17(16)18)24(26)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25/h2-15H,1H3
InChIKeyLKFUAUSEGXTMHZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.94
Rot. Bonds1

About carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone

carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone (PubChem CID 71679266) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Namecarbazol-9-yl-(4-methylnaphthalen-1-yl)methanone
PubChem CID71679266
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Namecarbazol-9-yl-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C24H17NO/c1-16-14-15-21(18-9-3-2-8-17(16)18)24(26)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25/h2-15H,1H3
InChIKeyLKFUAUSEGXTMHZ-UHFFFAOYSA-N
XLogP5.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone (CID 71679266) is carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)n2c3ccccc3c3ccccc32)c2ccccc12.
What is the InChIKey of carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is LKFUAUSEGXTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-16-14-15-21(18-9-3-2-8-17(16)18)24(26)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25/h2-15H,1H3.
What are the key properties of carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone?
carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-yl-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 71679266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).