3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole

C68H42N10O3 — CID 163809124

IUPAC3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole
SMILESc1ccc(-n2c3ccc(-c4cocc4-c4ccn(-c5cccc(-c6ccc7oc8c(-n9nccc9-n9cccn9)cccc8c7c6)c5)n4)cc3c3cc(-c4cnn(-c5ccc6oc7ccccc7c6c5)c4-n4cccc4)ccc32)cc1
InChIInChI=1S/C68H42N10O3/c1-2-12-47(13-3-1)76-60-23-19-45(56-40-71-77(68(56)73-31-6-7-32-73)49-22-26-64-55(39-49)50-15-4-5-18-63(50)80-64)37-52(60)53-38-46(20-24-61(53)76)57-41-79-42-58(57)59-28-34-74(72-59)48-14-8-11-43(35-48)44-21-25-65-54(36-44)51-16-9-17-62(67(51)81-65)78-66(27-30-70-78)75-33-10-29-69-75/h1-42H
InChIKeyNLSIOZDXLWZRKH-UHFFFAOYSA-N
MW1047.15 g/mol
LogP16.38
Rot. Bonds10

About 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole

3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole (PubChem CID 163809124) has the molecular formula C68H42N10O3 and a molecular weight of 1047.15 g/mol. Its IUPAC name is 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole.

Molecular Properties

Compound Name3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole
PubChem CID163809124
Molecular FormulaC68H42N10O3
Molecular Weight1047.15 g/mol
Exact Mass1046.34
IUPAC Name3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole
SMILESc1ccc(-n2c3ccc(-c4cocc4-c4ccn(-c5cccc(-c6ccc7oc8c(-n9nccc9-n9cccn9)cccc8c7c6)c5)n4)cc3c3cc(-c4cnn(-c5ccc6oc7ccccc7c6c5)c4-n4cccc4)ccc32)cc1
InChIInChI=1S/C68H42N10O3/c1-2-12-47(13-3-1)76-60-23-19-45(56-40-71-77(68(56)73-31-6-7-32-73)49-22-26-64-55(39-49)50-15-4-5-18-63(50)80-64)37-52(60)53-38-46(20-24-61(53)76)57-41-79-42-58(57)59-28-34-74(72-59)48-14-8-11-43(35-48)44-21-25-65-54(36-44)51-16-9-17-62(67(51)81-65)78-66(27-30-70-78)75-33-10-29-69-75/h1-42H
InChIKeyNLSIOZDXLWZRKH-UHFFFAOYSA-N
XLogP16.38
TPSA120.56 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.15
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole?
The IUPAC name of 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole (CID 163809124) is 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole.
What is the SMILES notation for 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole?
The canonical SMILES for 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole is c1ccc(-n2c3ccc(-c4cocc4-c4ccn(-c5cccc(-c6ccc7oc8c(-n9nccc9-n9cccn9)cccc8c7c6)c5)n4)cc3c3cc(-c4cnn(-c5ccc6oc7ccccc7c6c5)c4-n4cccc4)ccc32)cc1.
What is the InChIKey of 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole?
The InChIKey is NLSIOZDXLWZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N10O3/c1-2-12-47(13-3-1)76-60-23-19-45(56-40-71-77(68(56)73-31-6-7-32-73)49-22-26-64-55(39-49)50-15-4-5-18-63(50)80-64)37-52(60)53-38-46(20-24-61(53)76)57-41-79-42-58(57)59-28-34-74(72-59)48-14-8-11-43(35-48)44-21-25-65-54(36-44)51-16-9-17-62(67(51)81-65)78-66(27-30-70-78)75-33-10-29-69-75/h1-42H.
What are the key properties of 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole?
3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole has a molecular weight of 1047.15 g/mol, XLogP of 16.38, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenyl-6-[4-[1-[3-[6-(5-pyrazol-1-ylpyrazol-1-yl)dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]carbazole is sourced from PubChem (CID 163809124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).