9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

C28H19N3O — CID 153421777

IUPAC9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILES[2H]c1cnc(-n2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)c([2H])c1
InChIInChI=1S/C28H19N3O/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28/h1-19H/i5D,12D
InChIKeyQJIVRCAHJAEURM-BXOMONPRSA-N
MW415.49 g/mol
LogP7.03
Rot. Bonds4

About 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (PubChem CID 153421777) has the molecular formula C28H19N3O and a molecular weight of 415.49 g/mol. Its IUPAC name is 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.

Molecular Properties

Compound Name9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
PubChem CID153421777
Molecular FormulaC28H19N3O
Molecular Weight415.49 g/mol
Exact Mass415.17
IUPAC Name9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILES[2H]c1cnc(-n2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)c([2H])c1
InChIInChI=1S/C28H19N3O/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28/h1-19H/i5D,12D
InChIKeyQJIVRCAHJAEURM-BXOMONPRSA-N
XLogP7.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
CID 157488582
9-(4-ethyl-2-pyridinyl)-2-[3-[(6-ethyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421163
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The IUPAC name of 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (CID 153421777) is 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.
What is the SMILES notation for 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The canonical SMILES for 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is [2H]c1cnc(-n2c3ccccc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)c([2H])c1.
What is the InChIKey of 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The InChIKey is QJIVRCAHJAEURM-BXOMONPRSA-N. The full InChI is InChI=1S/C28H19N3O/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28/h1-19H/i5D,12D.
What are the key properties of 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole has a molecular weight of 415.49 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is sourced from PubChem (CID 153421777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).