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

C33H21N5O — CID 142329548

IUPAC4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6c(-n7cccn7)cccc6o5)cc43)c2)nc1
InChIInChI=1S/C33H21N5O/c1-2-12-28-25(10-1)26-16-15-23(33-36-32-29(37-19-7-18-35-37)13-6-14-31(32)39-33)21-30(26)38(28)24-9-5-8-22(20-24)27-11-3-4-17-34-27/h1-21H
InChIKeyMSWLAUNZRGVPEK-UHFFFAOYSA-N
MW503.57 g/mol
LogP7.84
Rot. Bonds4

About 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142329548) has the molecular formula C33H21N5O and a molecular weight of 503.57 g/mol. Its IUPAC name is 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
PubChem CID142329548
Molecular FormulaC33H21N5O
Molecular Weight503.57 g/mol
Exact Mass503.17
IUPAC Name4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6c(-n7cccn7)cccc6o5)cc43)c2)nc1
InChIInChI=1S/C33H21N5O/c1-2-12-28-25(10-1)26-16-15-23(33-36-32-29(37-19-7-18-35-37)13-6-14-31(32)39-33)21-30(26)38(28)24-9-5-8-22(20-24)27-11-3-4-17-34-27/h1-21H
InChIKeyMSWLAUNZRGVPEK-UHFFFAOYSA-N
XLogP7.84
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 153285632
5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
CID 140730755
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
2-[9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328957
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437
5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328663
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
CID 142329463
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
6-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]phenanthridine
CID 160823432

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (CID 142329548) is 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6c(-n7cccn7)cccc6o5)cc43)c2)nc1.
What is the InChIKey of 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is MSWLAUNZRGVPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5O/c1-2-12-28-25(10-1)26-16-15-23(33-36-32-29(37-19-7-18-35-37)13-6-14-31(32)39-33)21-30(26)38(28)24-9-5-8-22(20-24)27-11-3-4-17-34-27/h1-21H.
What are the key properties of 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 503.57 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142329548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).