2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole

C26H17N5O — CID 153421215

IUPAC2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
SMILESc1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5nccnn5)c4c3)c2)nc1
InChIInChI=1S/C26H17N5O/c1-2-9-23-21(8-1)22-12-11-19(17-24(22)31(23)26-28-14-15-29-30-26)18-6-5-7-20(16-18)32-25-10-3-4-13-27-25/h1-17H
InChIKeyKYZGHQYKRFUHNI-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.82
Rot. Bonds4

About 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole

2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole (PubChem CID 153421215) has the molecular formula C26H17N5O and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole.

Molecular Properties

Compound Name2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
PubChem CID153421215
Molecular FormulaC26H17N5O
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC Name2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
SMILESc1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5nccnn5)c4c3)c2)nc1
InChIInChI=1S/C26H17N5O/c1-2-9-23-21(8-1)22-12-11-19(17-24(22)31(23)26-28-14-15-29-30-26)18-6-5-7-20(16-18)32-25-10-3-4-13-27-25/h1-17H
InChIKeyKYZGHQYKRFUHNI-UHFFFAOYSA-N
XLogP5.82
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
CID 140818788
2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
CID 157488582
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole?
The IUPAC name of 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole (CID 153421215) is 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole.
What is the SMILES notation for 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole?
The canonical SMILES for 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole is c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5nccnn5)c4c3)c2)nc1.
What is the InChIKey of 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole?
The InChIKey is KYZGHQYKRFUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O/c1-2-9-23-21(8-1)22-12-11-19(17-24(22)31(23)26-28-14-15-29-30-26)18-6-5-7-20(16-18)32-25-10-3-4-13-27-25/h1-17H.
What are the key properties of 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole?
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole has a molecular weight of 415.46 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole is sourced from PubChem (CID 153421215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).