ethane;9-(3-methylphenyl)carbazole

C21H21N — CID 143904684

IUPACethane;9-(3-methylphenyl)carbazole
SMILESCC.Cc1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C19H15N.C2H6/c1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;1-2/h2-13H,1H3;1-2H3
InChIKeyIGNINDPMXQGBLY-UHFFFAOYSA-N
MW287.41 g/mol
LogP6.12
Rot. Bonds1

About ethane;9-(3-methylphenyl)carbazole

ethane;9-(3-methylphenyl)carbazole (PubChem CID 143904684) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is ethane;9-(3-methylphenyl)carbazole.

Molecular Properties

Compound Nameethane;9-(3-methylphenyl)carbazole
PubChem CID143904684
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Nameethane;9-(3-methylphenyl)carbazole
SMILESCC.Cc1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C19H15N.C2H6/c1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;1-2/h2-13H,1H3;1-2H3
InChIKeyIGNINDPMXQGBLY-UHFFFAOYSA-N
XLogP6.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;9-(3-methylphenyl)carbazole?
The IUPAC name of ethane;9-(3-methylphenyl)carbazole (CID 143904684) is ethane;9-(3-methylphenyl)carbazole.
What is the SMILES notation for ethane;9-(3-methylphenyl)carbazole?
The canonical SMILES for ethane;9-(3-methylphenyl)carbazole is CC.Cc1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of ethane;9-(3-methylphenyl)carbazole?
The InChIKey is IGNINDPMXQGBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C2H6/c1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;1-2/h2-13H,1H3;1-2H3.
What are the key properties of ethane;9-(3-methylphenyl)carbazole?
ethane;9-(3-methylphenyl)carbazole has a molecular weight of 287.41 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(3-methylphenyl)carbazole is sourced from PubChem (CID 143904684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).