3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole

C69H46N10O3 — CID 163903752

IUPAC3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole
SMILESCC12C=C(c3cccc(-n4ccc(-c5cocc5-c5ccc6c(c5)c5cc(-c7cnn(-c8ccc9oc%10ccccc%10c9c8)c7-n7cccc7)ccc5n6-c5ccccc5)n4)c3)C=CC1Oc1c(-n3nccc3-n3cccn3)cccc12
InChIInChI=1S/C69H46N10O3/c1-69-40-47(22-27-65(69)82-67-58(69)17-10-18-62(67)79-66(28-31-71-79)76-34-11-30-70-76)44-12-9-15-49(36-44)75-35-29-59(73-75)57-43-80-42-56(57)46-21-25-61-53(38-46)52-37-45(20-24-60(52)77(61)48-13-3-2-4-14-48)55-41-72-78(68(55)74-32-7-8-33-74)50-23-26-64-54(39-50)51-16-5-6-19-63(51)81-64/h2-43,65H,1H3
InChIKeyQMCMENWOOXLPBI-UHFFFAOYSA-N
MW1063.19 g/mol
LogP15.48
Rot. Bonds10

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

3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole (PubChem CID 163903752) has the molecular formula C69H46N10O3 and a molecular weight of 1063.19 g/mol. Its IUPAC name is 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole
PubChem CID163903752
Molecular FormulaC69H46N10O3
Molecular Weight1063.19 g/mol
Exact Mass1062.38
IUPAC Name3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole
SMILESCC12C=C(c3cccc(-n4ccc(-c5cocc5-c5ccc6c(c5)c5cc(-c7cnn(-c8ccc9oc%10ccccc%10c9c8)c7-n7cccc7)ccc5n6-c5ccccc5)n4)c3)C=CC1Oc1c(-n3nccc3-n3cccn3)cccc12
InChIInChI=1S/C69H46N10O3/c1-69-40-47(22-27-65(69)82-67-58(69)17-10-18-62(67)79-66(28-31-71-79)76-34-11-30-70-76)44-12-9-15-49(36-44)75-35-29-59(73-75)57-43-80-42-56(57)46-21-25-61-53(38-46)52-37-45(20-24-60(52)77(61)48-13-3-2-4-14-48)55-41-72-78(68(55)74-32-7-8-33-74)50-23-26-64-54(39-50)51-16-5-6-19-63(51)81-64/h2-43,65H,1H3
InChIKeyQMCMENWOOXLPBI-UHFFFAOYSA-N
XLogP15.48
TPSA116.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.19
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole?
The IUPAC name of 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole (CID 163903752) is 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole?
The canonical SMILES for 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole is CC12C=C(c3cccc(-n4ccc(-c5cocc5-c5ccc6c(c5)c5cc(-c7cnn(-c8ccc9oc%10ccccc%10c9c8)c7-n7cccc7)ccc5n6-c5ccccc5)n4)c3)C=CC1Oc1c(-n3nccc3-n3cccn3)cccc12.
What is the InChIKey of 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole?
The InChIKey is QMCMENWOOXLPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N10O3/c1-69-40-47(22-27-65(69)82-67-58(69)17-10-18-62(67)79-66(28-31-71-79)76-34-11-30-70-76)44-12-9-15-49(36-44)75-35-29-59(73-75)57-43-80-42-56(57)46-21-25-61-53(38-46)52-37-45(20-24-60(52)77(61)48-13-3-2-4-14-48)55-41-72-78(68(55)74-32-7-8-33-74)50-23-26-64-54(39-50)51-16-5-6-19-63(51)81-64/h2-43,65H,1H3.
What are the key properties of 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole?
3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole has a molecular weight of 1063.19 g/mol, XLogP of 15.48, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[3-[9b-methyl-6-(5-pyrazol-1-ylpyrazol-1-yl)-4aH-dibenzofuran-2-yl]phenyl]pyrazol-3-yl]furan-3-yl]-6-(1-dibenzofuran-2-yl-5-pyrrol-1-ylpyrazol-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 163903752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).