9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole

C42H28N6O — CID 140730085

IUPAC9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole
SMILESc1cc(Oc2cccc(-n3nccc3-n3c4ccccc4c4ccccc43)c2)cc(-n2nccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H28N6O/c1-5-19-37-33(15-1)34-16-2-6-20-38(34)45(37)41-23-25-43-47(41)29-11-9-13-31(27-29)49-32-14-10-12-30(28-32)48-42(24-26-44-48)46-39-21-7-3-17-35(39)36-18-4-8-22-40(36)46/h1-28H
InChIKeyBETXZEYKQKKCKA-UHFFFAOYSA-N
MW632.73 g/mol
LogP10.04
Rot. Bonds6

About 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole

9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole (PubChem CID 140730085) has the molecular formula C42H28N6O and a molecular weight of 632.73 g/mol. Its IUPAC name is 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole
PubChem CID140730085
Molecular FormulaC42H28N6O
Molecular Weight632.73 g/mol
Exact Mass632.23
IUPAC Name9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole
SMILESc1cc(Oc2cccc(-n3nccc3-n3c4ccccc4c4ccccc43)c2)cc(-n2nccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H28N6O/c1-5-19-37-33(15-1)34-16-2-6-20-38(34)45(37)41-23-25-43-47(41)29-11-9-13-31(27-29)49-32-14-10-12-30(28-32)48-42(24-26-44-48)46-39-21-7-3-17-35(39)36-18-4-8-22-40(36)46/h1-28H
InChIKeyBETXZEYKQKKCKA-UHFFFAOYSA-N
XLogP10.04
TPSA54.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.73
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
CID 140729993
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole
CID 176858145
(3-carbazol-9-ylphenoxy)-methyl-bis(trimethylsilyloxy)silane
CID 57337744
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
1-methyl-3-[3-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-2,1,3-benzoxadiazole
CID 160885460
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
CID 140731223
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-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole?
The IUPAC name of 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole (CID 140730085) is 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole.
What is the SMILES notation for 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole?
The canonical SMILES for 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole is c1cc(Oc2cccc(-n3nccc3-n3c4ccccc4c4ccccc43)c2)cc(-n2nccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole?
The InChIKey is BETXZEYKQKKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6O/c1-5-19-37-33(15-1)34-16-2-6-20-38(34)45(37)41-23-25-43-47(41)29-11-9-13-31(27-29)49-32-14-10-12-30(28-32)48-42(24-26-44-48)46-39-21-7-3-17-35(39)36-18-4-8-22-40(36)46/h1-28H.
What are the key properties of 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole?
9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole has a molecular weight of 632.73 g/mol, XLogP of 10.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[3-(5-carbazol-9-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-3-yl]carbazole is sourced from PubChem (CID 140730085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).