3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole

C59H51N3 — CID 59501357

IUPAC3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H51N3/c1-58(2,3)44-29-35-55-52(37-44)53-38-45(59(4,5)6)30-36-56(53)61(55)46-31-25-40(26-32-46)48-21-13-15-23-50(48)51-24-16-14-22-49(51)41-27-33-47(34-28-41)62-57(43-19-11-8-12-20-43)39-54(60-62)42-17-9-7-10-18-42/h7-39H,1-6H3
InChIKeyOIUVJYVMKZIZTD-UHFFFAOYSA-N
MW802.08 g/mol
LogP15.90
Rot. Bonds7

About 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole

3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 59501357) has the molecular formula C59H51N3 and a molecular weight of 802.08 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
PubChem CID59501357
Molecular FormulaC59H51N3
Molecular Weight802.08 g/mol
Exact Mass801.41
IUPAC Name3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H51N3/c1-58(2,3)44-29-35-55-52(37-44)53-38-45(59(4,5)6)30-36-56(53)61(55)46-31-25-40(26-32-46)48-21-13-15-23-50(48)51-24-16-14-22-49(51)41-27-33-47(34-28-41)62-57(43-19-11-8-12-20-43)39-54(60-62)42-17-9-7-10-18-42/h7-39H,1-6H3
InChIKeyOIUVJYVMKZIZTD-UHFFFAOYSA-N
XLogP15.90
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.08
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501172
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-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 59501236
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
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
9-(4-tert-butylphenyl)-3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 59501160
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 59501357) is 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is OIUVJYVMKZIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N3/c1-58(2,3)44-29-35-55-52(37-44)53-38-45(59(4,5)6)30-36-56(53)61(55)46-31-25-40(26-32-46)48-21-13-15-23-50(48)51-24-16-14-22-49(51)41-27-33-47(34-28-41)62-57(43-19-11-8-12-20-43)39-54(60-62)42-17-9-7-10-18-42/h7-39H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 802.08 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 59501357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).