1,2,4-trideuterio-3-phenyl-9H-carbazole

C18H13N — CID 177093171

IUPAC1,2,4-trideuterio-3-phenyl-9H-carbazole
SMILES[2H]c1c(-c2ccccc2)c([2H])c2c([nH]c3ccccc32)c1[2H]
InChIInChI=1S/C18H13N/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h1-12,19H/i10D,11D,12D
InChIKeyIAWRFMPNMXEJCK-VKLAAILXSA-N
MW246.33 g/mol
LogP4.99
Rot. Bonds1

About 1,2,4-trideuterio-3-phenyl-9H-carbazole

1,2,4-trideuterio-3-phenyl-9H-carbazole (PubChem CID 177093171) has the molecular formula C18H13N and a molecular weight of 246.33 g/mol. Its IUPAC name is 1,2,4-trideuterio-3-phenyl-9H-carbazole.

Molecular Properties

Compound Name1,2,4-trideuterio-3-phenyl-9H-carbazole
PubChem CID177093171
Molecular FormulaC18H13N
Molecular Weight246.33 g/mol
Exact Mass246.12
IUPAC Name1,2,4-trideuterio-3-phenyl-9H-carbazole
SMILES[2H]c1c(-c2ccccc2)c([2H])c2c([nH]c3ccccc32)c1[2H]
InChIInChI=1S/C18H13N/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h1-12,19H/i10D,11D,12D
InChIKeyIAWRFMPNMXEJCK-VKLAAILXSA-N
XLogP4.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trideuterio-3-phenyl-9H-carbazole?
The IUPAC name of 1,2,4-trideuterio-3-phenyl-9H-carbazole (CID 177093171) is 1,2,4-trideuterio-3-phenyl-9H-carbazole.
What is the SMILES notation for 1,2,4-trideuterio-3-phenyl-9H-carbazole?
The canonical SMILES for 1,2,4-trideuterio-3-phenyl-9H-carbazole is [2H]c1c(-c2ccccc2)c([2H])c2c([nH]c3ccccc32)c1[2H].
What is the InChIKey of 1,2,4-trideuterio-3-phenyl-9H-carbazole?
The InChIKey is IAWRFMPNMXEJCK-VKLAAILXSA-N. The full InChI is InChI=1S/C18H13N/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h1-12,19H/i10D,11D,12D.
What are the key properties of 1,2,4-trideuterio-3-phenyl-9H-carbazole?
1,2,4-trideuterio-3-phenyl-9H-carbazole has a molecular weight of 246.33 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trideuterio-3-phenyl-9H-carbazole is sourced from PubChem (CID 177093171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).