9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole

C31H21N5O2 — CID 140731223

IUPAC9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
SMILESc1ccc(Oc2cccc(Oc3cccc(-n4cc(-n5c6ccccc6c6ccccc65)nn4)c3)c2)nc1
InChIInChI=1S/C31H21N5O2/c1-3-15-28-26(13-1)27-14-2-4-16-29(27)36(28)30-21-35(34-33-30)22-9-7-10-23(19-22)37-24-11-8-12-25(20-24)38-31-17-5-6-18-32-31/h1-21H
InChIKeyQNSKUFOVZADEIB-UHFFFAOYSA-N
MW495.54 g/mol
LogP7.34
Rot. Bonds6

About 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole

9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole (PubChem CID 140731223) has the molecular formula C31H21N5O2 and a molecular weight of 495.54 g/mol. Its IUPAC name is 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole.

Molecular Properties

Compound Name9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
PubChem CID140731223
Molecular FormulaC31H21N5O2
Molecular Weight495.54 g/mol
Exact Mass495.17
IUPAC Name9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
SMILESc1ccc(Oc2cccc(Oc3cccc(-n4cc(-n5c6ccccc6c6ccccc65)nn4)c3)c2)nc1
InChIInChI=1S/C31H21N5O2/c1-3-15-28-26(13-1)27-14-2-4-16-29(27)36(28)30-21-35(34-33-30)22-9-7-10-23(19-22)37-24-11-8-12-25(20-24)38-31-17-5-6-18-32-31/h1-21H
InChIKeyQNSKUFOVZADEIB-UHFFFAOYSA-N
XLogP7.34
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.54
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole
CID 158386761
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
CID 140730449
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
CID 158881190
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
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole
CID 140731336

Frequently Asked Questions

What is the IUPAC name of 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole?
The IUPAC name of 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole (CID 140731223) is 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole.
What is the SMILES notation for 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole?
The canonical SMILES for 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole is c1ccc(Oc2cccc(Oc3cccc(-n4cc(-n5c6ccccc6c6ccccc65)nn4)c3)c2)nc1.
What is the InChIKey of 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole?
The InChIKey is QNSKUFOVZADEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5O2/c1-3-15-28-26(13-1)27-14-2-4-16-29(27)36(28)30-21-35(34-33-30)22-9-7-10-23(19-22)37-24-11-8-12-25(20-24)38-31-17-5-6-18-32-31/h1-21H.
What are the key properties of 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole?
9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole has a molecular weight of 495.54 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole is sourced from PubChem (CID 140731223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).