3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole

C57H39N3 — CID 59501236

IUPAC3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C57H39N3/c1-4-18-40(19-5-1)48-26-14-16-30-54(48)59-55-31-17-15-29-51(55)52-38-44(34-37-56(52)59)47-25-11-13-28-50(47)49-27-12-10-24-46(49)41-32-35-45(36-33-41)60-57(43-22-8-3-9-23-43)39-53(58-60)42-20-6-2-7-21-42/h1-39H
InChIKeyQZZJBMCIIVMLCM-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.97
Rot. Bonds8

About 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole

3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole (PubChem CID 59501236) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
PubChem CID59501236
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C57H39N3/c1-4-18-40(19-5-1)48-26-14-16-30-54(48)59-55-31-17-15-29-51(55)52-38-44(34-37-56(52)59)47-25-11-13-28-50(47)49-27-12-10-24-46(49)41-32-35-45(36-33-41)60-57(43-22-8-3-9-23-43)39-53(58-60)42-20-6-2-7-21-42/h1-39H
InChIKeyQZZJBMCIIVMLCM-UHFFFAOYSA-N
XLogP14.97
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
3-[2-[2-[4-[5-(4-tert-butylphenyl)-3-phenylpyrazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501207
9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501172
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204
3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501273
3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501357
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
CID 59499912
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole (CID 59501236) is 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole is c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The InChIKey is QZZJBMCIIVMLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-4-18-40(19-5-1)48-26-14-16-30-54(48)59-55-31-17-15-29-51(55)52-38-44(34-37-56(52)59)47-25-11-13-28-50(47)49-27-12-10-24-46(49)41-32-35-45(36-33-41)60-57(43-22-8-3-9-23-43)39-53(58-60)42-20-6-2-7-21-42/h1-39H.
What are the key properties of 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole has a molecular weight of 765.96 g/mol, XLogP of 14.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 59501236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).