2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole

C45H40N4O — CID 153415572

IUPAC2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)C)ccn4)c3c2)cc(-n2nc(C(C)C)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C45H40N4O/c1-29(2)34-22-23-46-42(26-34)48-40-19-13-12-18-38(40)39-21-20-36(28-41(39)48)50-37-25-31(5)24-35(27-37)49-45(33-16-10-7-11-17-33)43(44(47-49)30(3)4)32-14-8-6-9-15-32/h6-30H,1-5H3
InChIKeyUSLKALRLFXYPGP-UHFFFAOYSA-N
MW652.84 g/mol
LogP12.05
Rot. Bonds8

About 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole

2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 153415572) has the molecular formula C45H40N4O and a molecular weight of 652.84 g/mol. Its IUPAC name is 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
PubChem CID153415572
Molecular FormulaC45H40N4O
Molecular Weight652.84 g/mol
Exact Mass652.32
IUPAC Name2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)C)ccn4)c3c2)cc(-n2nc(C(C)C)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C45H40N4O/c1-29(2)34-22-23-46-42(26-34)48-40-19-13-12-18-38(40)39-21-20-36(28-41(39)48)50-37-25-31(5)24-35(27-37)49-45(33-16-10-7-11-17-33)43(44(47-49)30(3)4)32-14-8-6-9-15-32/h6-30H,1-5H3
InChIKeyUSLKALRLFXYPGP-UHFFFAOYSA-N
XLogP12.05
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-5-propan-2-ylphenoxy]-6-propan-2-yl-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153441634
2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153415571
2-[3-[3-methyl-5-phenyl-4-[(1R,4R)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 161451352
2-[3-[4-(3,5-ditert-butylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153415433
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole
CID 153415156
2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153414664
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153442930
2-[3-tert-butyl-5-[4-(4-tert-butyl-2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153418028
1,8-dimethyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769115
2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153417219
2-[3-tert-butyl-5-[3-methyl-5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153417862
2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153416798

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 153415572) is 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is Cc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)C)ccn4)c3c2)cc(-n2nc(C(C)C)c(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The InChIKey is USLKALRLFXYPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40N4O/c1-29(2)34-22-23-46-42(26-34)48-40-19-13-12-18-38(40)39-21-20-36(28-41(39)48)50-37-25-31(5)24-35(27-37)49-45(33-16-10-7-11-17-33)43(44(47-49)30(3)4)32-14-8-6-9-15-32/h6-30H,1-5H3.
What are the key properties of 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 652.84 g/mol, XLogP of 12.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 153415572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).