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

C45H48N4O — CID 153441634

IUPAC2-[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
SMILESCc1nn(-c2cc(Oc3ccc4c5cc(C(C)C)ccc5n(-c5cc(C(C)C)ccn5)c4c3)cc(C(C)C)c2)c(C(C)C)c1-c1ccccc1
InChIInChI=1S/C45H48N4O/c1-27(2)33-15-18-41-40(23-33)39-17-16-37(26-42(39)48(41)43-24-34(28(3)4)19-20-46-43)50-38-22-35(29(5)6)21-36(25-38)49-45(30(7)8)44(31(9)47-49)32-13-11-10-12-14-32/h10-30H,1-9H3
InChIKeyILAMPHPJOCZZAF-UHFFFAOYSA-N
MW660.91 g/mol
LogP12.63
Rot. Bonds9

About 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

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 (PubChem CID 153441634) has the molecular formula C45H48N4O and a molecular weight of 660.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID153441634
Molecular FormulaC45H48N4O
Molecular Weight660.91 g/mol
Exact Mass660.38
IUPAC Name2-[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
SMILESCc1nn(-c2cc(Oc3ccc4c5cc(C(C)C)ccc5n(-c5cc(C(C)C)ccn5)c4c3)cc(C(C)C)c2)c(C(C)C)c1-c1ccccc1
InChIInChI=1S/C45H48N4O/c1-27(2)33-15-18-41-40(23-33)39-17-16-37(26-42(39)48(41)43-24-34(28(3)4)19-20-46-43)50-38-22-35(29(5)6)21-36(25-38)49-45(30(7)8)44(31(9)47-49)32-13-11-10-12-14-32/h10-30H,1-9H3
InChIKeyILAMPHPJOCZZAF-UHFFFAOYSA-N
XLogP12.63
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.91
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-4-phenyl-5-propan-2-ylpyrazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 153441828
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-[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
2-[3-[4-[(1R)-2,6-dimethylcyclohex-2-en-1-yl]-3-methyl-5-propan-2-ylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 162165354
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-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153415572
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]-6-(5-methylhexyl)-9-(4-methyl-2-pyridinyl)carbazole
CID 153442032
1,8-ditert-butyl-9-[2-[2-[3-(5-tert-butyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769190
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
2-[3-[4-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443501
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethylphenoxy]-6-(3-methylbutan-2-yl)-9-(4-methyl-2-pyridinyl)carbazole
CID 153441604

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(-c2cc(Oc3ccc4c5cc(C(C)C)ccc5n(-c5cc(C(C)C)ccn5)c4c3)cc(C(C)C)c2)c(C(C)C)c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is ILAMPHPJOCZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48N4O/c1-27(2)33-15-18-41-40(23-33)39-17-16-37(26-42(39)48(41)43-24-34(28(3)4)19-20-46-43)50-38-22-35(29(5)6)21-36(25-38)49-45(30(7)8)44(31(9)47-49)32-13-11-10-12-14-32/h10-30H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 660.91 g/mol, XLogP of 12.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153441634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).