9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole

C31H21N5O — CID 140729993

IUPAC9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nccc5-c5cccnc5)c4)cc32)nc1
InChIInChI=1S/C31H21N5O/c1-2-11-29-26(10-1)27-14-13-25(20-30(27)35(29)31-12-3-4-17-33-31)37-24-9-5-8-23(19-24)36-28(15-18-34-36)22-7-6-16-32-21-22/h1-21H
InChIKeyVMPHSGFYULDWQW-UHFFFAOYSA-N
MW479.54 g/mol
LogP7.22
Rot. Bonds5

About 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole

9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole (PubChem CID 140729993) has the molecular formula C31H21N5O and a molecular weight of 479.54 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
PubChem CID140729993
Molecular FormulaC31H21N5O
Molecular Weight479.54 g/mol
Exact Mass479.17
IUPAC Name9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nccc5-c5cccnc5)c4)cc32)nc1
InChIInChI=1S/C31H21N5O/c1-2-11-29-26(10-1)27-14-13-25(20-30(27)35(29)31-12-3-4-17-33-31)37-24-9-5-8-23(19-24)36-28(15-18-34-36)22-7-6-16-32-21-22/h1-21H
InChIKeyVMPHSGFYULDWQW-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-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
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-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
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
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole?
The IUPAC name of 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole (CID 140729993) is 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole is c1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nccc5-c5cccnc5)c4)cc32)nc1.
What is the InChIKey of 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole?
The InChIKey is VMPHSGFYULDWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5O/c1-2-11-29-26(10-1)27-14-13-25(20-30(27)35(29)31-12-3-4-17-33-31)37-24-9-5-8-23(19-24)36-28(15-18-34-36)22-7-6-16-32-21-22/h1-21H.
What are the key properties of 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole?
9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole 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 9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 140729993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).