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

C55H43N3 — CID 59501172

IUPAC3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H43N3/c1-55(2,3)42-30-35-53-50(36-42)49-24-14-15-25-52(49)57(53)43-31-26-38(27-32-43)45-20-10-12-22-47(45)48-23-13-11-21-46(48)39-28-33-44(34-29-39)58-54(41-18-8-5-9-19-41)37-51(56-58)40-16-6-4-7-17-40/h4-37H,1-3H3
InChIKeyMYPCSCDQQWZQFR-UHFFFAOYSA-N
MW745.97 g/mol
LogP14.60
Rot. Bonds7

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

3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 59501172) has the molecular formula C55H43N3 and a molecular weight of 745.97 g/mol. Its IUPAC name is 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
PubChem CID59501172
Molecular FormulaC55H43N3
Molecular Weight745.97 g/mol
Exact Mass745.35
IUPAC Name3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H43N3/c1-55(2,3)42-30-35-53-50(36-42)49-24-14-15-25-52(49)57(53)43-31-26-38(27-32-43)45-20-10-12-22-47(45)48-23-13-11-21-46(48)39-28-33-44(34-29-39)58-54(41-18-8-5-9-19-41)37-51(56-58)40-16-6-4-7-17-40/h4-37H,1-3H3
InChIKeyMYPCSCDQQWZQFR-UHFFFAOYSA-N
XLogP14.60
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501357
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-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204
3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 59501236
9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501273
9-(4-tert-butylphenyl)-3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 59501160
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
CID 59499912
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3,6-ditert-butyl-9-[4-[4-(4-carbazol-9-ylphenyl)-2,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]carbazole
CID 146556924

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 59501172) is 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is MYPCSCDQQWZQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N3/c1-55(2,3)42-30-35-53-50(36-42)49-24-14-15-25-52(49)57(53)43-31-26-38(27-32-43)45-20-10-12-22-47(45)48-23-13-11-21-46(48)39-28-33-44(34-29-39)58-54(41-18-8-5-9-19-41)37-51(56-58)40-16-6-4-7-17-40/h4-37H,1-3H3.
What are the key properties of 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 745.97 g/mol, XLogP of 14.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 59501172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).