2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole

C31H21N5O — CID 170654817

IUPAC2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cn(-c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)nn2)cc1
InChIInChI=1S/C31H21N5O/c1-2-9-22(10-3-1)28-21-35(34-33-28)23-11-8-12-24(19-23)37-25-16-17-27-26-13-4-5-14-29(26)36(30(27)20-25)31-15-6-7-18-32-31/h1-21H
InChIKeyIHMULLAYISMZRB-UHFFFAOYSA-N
MW479.54 g/mol
LogP7.22
Rot. Bonds5

About 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole

2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 170654817) has the molecular formula C31H21N5O and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID170654817
Molecular FormulaC31H21N5O
Molecular Weight479.54 g/mol
Exact Mass479.17
IUPAC Name2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cn(-c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)nn2)cc1
InChIInChI=1S/C31H21N5O/c1-2-9-22(10-3-1)28-21-35(34-33-28)23-11-8-12-24(19-23)37-25-16-17-27-26-13-4-5-14-29(26)36(30(27)20-25)31-15-6-7-18-32-31/h1-21H
InChIKeyIHMULLAYISMZRB-UHFFFAOYSA-N
XLogP7.22
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
CID 140731223
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole
CID 140731336
10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
CID 140730449
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
CID 140729993
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole (CID 170654817) is 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole is c1ccc(-c2cn(-c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)nn2)cc1.
What is the InChIKey of 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is IHMULLAYISMZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5O/c1-2-9-22(10-3-1)28-21-35(34-33-28)23-11-8-12-24(19-23)37-25-16-17-27-26-13-4-5-14-29(26)36(30(27)20-25)31-15-6-7-18-32-31/h1-21H.
What are the key properties of 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 479.54 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 170654817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).