2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole

C28H18N4OSe — CID 140731336

IUPAC2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6[se]ccc6n5)c4)cc32)nc1
InChIInChI=1S/C28H18N4OSe/c1-2-9-25-22(8-1)23-12-11-21(17-26(23)32(25)28-10-3-4-14-29-28)33-20-7-5-6-19(16-20)31-18-27-24(30-31)13-15-34-27/h1-18H
InChIKeyLJOXLSUEJPOYJW-UHFFFAOYSA-N
MW505.44 g/mol
LogP6.37
Rot. Bonds4

About 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole

2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole (PubChem CID 140731336) has the molecular formula C28H18N4OSe and a molecular weight of 505.44 g/mol. Its IUPAC name is 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole.

Molecular Properties

Compound Name2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole
PubChem CID140731336
Molecular FormulaC28H18N4OSe
Molecular Weight505.44 g/mol
Exact Mass506.06
IUPAC Name2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6[se]ccc6n5)c4)cc32)nc1
InChIInChI=1S/C28H18N4OSe/c1-2-9-25-22(8-1)23-12-11-21(17-26(23)32(25)28-10-3-4-14-29-28)33-20-7-5-6-19(16-20)31-18-27-24(30-31)13-15-34-27/h1-18H
InChIKeyLJOXLSUEJPOYJW-UHFFFAOYSA-N
XLogP6.37
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.44
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
CID 140730449
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole?
The IUPAC name of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole (CID 140731336) is 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole.
What is the SMILES notation for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole?
The canonical SMILES for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole is c1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6[se]ccc6n5)c4)cc32)nc1.
What is the InChIKey of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole?
The InChIKey is LJOXLSUEJPOYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4OSe/c1-2-9-25-22(8-1)23-12-11-21(17-26(23)32(25)28-10-3-4-14-29-28)33-20-7-5-6-19(16-20)31-18-27-24(30-31)13-15-34-27/h1-18H.
What are the key properties of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole?
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole has a molecular weight of 505.44 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole is sourced from PubChem (CID 140731336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).