9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole

C46H50N4O — CID 153413487

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
SMILESCc1cc(C(C)C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)C)c3)c2)c(C(C)C)c1
InChIInChI=1S/C46H50N4O/c1-28(2)32-21-35(49-27-33(26-48-49)45-40(29(3)4)19-31(7)20-41(45)30(5)6)24-37(22-32)51-36-15-16-39-38-13-11-12-14-42(38)50(43(39)25-36)44-23-34(17-18-47-44)46(8,9)10/h11-30H,1-10H3
InChIKeyQYYYCZDVWMSUTG-UHFFFAOYSA-N
MW674.93 g/mol
LogP12.80
Rot. Bonds8

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole (PubChem CID 153413487) has the molecular formula C46H50N4O and a molecular weight of 674.93 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
PubChem CID153413487
Molecular FormulaC46H50N4O
Molecular Weight674.93 g/mol
Exact Mass674.40
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
SMILESCc1cc(C(C)C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)C)c3)c2)c(C(C)C)c1
InChIInChI=1S/C46H50N4O/c1-28(2)32-21-35(49-27-33(26-48-49)45-40(29(3)4)19-31(7)20-41(45)30(5)6)24-37(22-32)51-36-15-16-39-38-13-11-12-14-42(38)50(43(39)25-36)44-23-34(17-18-47-44)46(8,9)10/h11-30H,1-10H3
InChIKeyQYYYCZDVWMSUTG-UHFFFAOYSA-N
XLogP12.80
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.93
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-butyl-5-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153414317
2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413298
2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413715
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414962
9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-methylpropyl)-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414964
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413685
9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153412974
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanophenoxy]carbazole
CID 155623145
2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414490
2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153414664
1-N,1-N,3-N,3-N,5-pentamethyl-2-[1-[3-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414866
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155651105

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole (CID 153413487) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole is Cc1cc(C(C)C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)C)c3)c2)c(C(C)C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?
The InChIKey is QYYYCZDVWMSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N4O/c1-28(2)32-21-35(49-27-33(26-48-49)45-40(29(3)4)19-31(7)20-41(45)30(5)6)24-37(22-32)51-36-15-16-39-38-13-11-12-14-42(38)50(43(39)25-36)44-23-34(17-18-47-44)46(8,9)10/h11-30H,1-10H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole has a molecular weight of 674.93 g/mol, XLogP of 12.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole is sourced from PubChem (CID 153413487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).