2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

C36H23N7O — CID 153285399

IUPAC2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-n5cccn5)cc4c4cc(-n5cccn5)c(-c5nc6ccccc6o5)cc43)c2)nc1
InChIInChI=1S/C36H23N7O/c1-2-12-35-31(11-1)40-36(44-35)29-23-34-28(22-33(29)42-19-7-17-39-42)27-21-25(41-18-6-16-38-41)13-14-32(27)43(34)26-9-5-8-24(20-26)30-10-3-4-15-37-30/h1-23H
InChIKeyJOLWCXDVHNFAKJ-UHFFFAOYSA-N
MW569.63 g/mol
LogP8.03
Rot. Bonds5

About 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 153285399) has the molecular formula C36H23N7O and a molecular weight of 569.63 g/mol. Its IUPAC name is 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
PubChem CID153285399
Molecular FormulaC36H23N7O
Molecular Weight569.63 g/mol
Exact Mass569.20
IUPAC Name2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-n5cccn5)cc4c4cc(-n5cccn5)c(-c5nc6ccccc6o5)cc43)c2)nc1
InChIInChI=1S/C36H23N7O/c1-2-12-35-31(11-1)40-36(44-35)29-23-34-28(22-33(29)42-19-7-17-39-42)27-21-25(41-18-6-16-38-41)13-14-32(27)43(34)26-9-5-8-24(20-26)30-10-3-4-15-37-30/h1-23H
InChIKeyJOLWCXDVHNFAKJ-UHFFFAOYSA-N
XLogP8.03
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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5-(1-Methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine
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US10696655, Example 121
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5-[3-(1H-pyrazol-3-yl)phenyl]-2-(3-pyridinyl)-1,3-benzoxazole
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2-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)benzo[d]oxazole tetrahydrochloride
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4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)indole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (CID 153285399) is 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccc(-n5cccn5)cc4c4cc(-n5cccn5)c(-c5nc6ccccc6o5)cc43)c2)nc1.
What is the InChIKey of 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is JOLWCXDVHNFAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7O/c1-2-12-35-31(11-1)40-36(44-35)29-23-34-28(22-33(29)42-19-7-17-39-42)27-21-25(41-18-6-16-38-41)13-14-32(27)43(34)26-9-5-8-24(20-26)30-10-3-4-15-37-30/h1-23H.
What are the key properties of 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 569.63 g/mol, XLogP of 8.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-di(pyrazol-1-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 153285399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).