4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole

C20H19N — CID 144884300

IUPAC4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
SMILESCc1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC1C
InChIInChI=1S/C20H19N/c1-14-11-12-18-17(13-14)20-15(2)7-6-10-19(20)21(18)16-8-4-3-5-9-16/h3-6,8-13,15H,7H2,1-2H3
InChIKeyLADOYXGKOSXNMF-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.46
Rot. Bonds1

About 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole

4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole (PubChem CID 144884300) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
PubChem CID144884300
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
SMILESCc1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC1C
InChIInChI=1S/C20H19N/c1-14-11-12-18-17(13-14)20-15(2)7-6-10-19(20)21(18)16-8-4-3-5-9-16/h3-6,8-13,15H,7H2,1-2H3
InChIKeyLADOYXGKOSXNMF-UHFFFAOYSA-N
XLogP5.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole (CID 144884300) is 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole is Cc1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC1C.
What is the InChIKey of 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole?
The InChIKey is LADOYXGKOSXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-14-11-12-18-17(13-14)20-15(2)7-6-10-19(20)21(18)16-8-4-3-5-9-16/h3-6,8-13,15H,7H2,1-2H3.
What are the key properties of 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole?
4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole has a molecular weight of 273.38 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 144884300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).