(4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole

C47H53N3O2 — CID 170933459

IUPAC(4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4cc(C(C)(C)C)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C2=N[C@](C)(c3ccccc3)C(C)(C)O2)c1
InChIInChI=1S/C47H53N3O2/c1-43(2,3)32-18-21-39-38(27-32)37-20-19-35(29-40(37)50(39)41-28-33(22-23-48-41)44(4,5)6)51-36-25-30(24-34(26-36)45(7,8)9)42-49-47(12,46(10,11)52-42)31-16-14-13-15-17-31/h13-29H,1-12H3/t47-/m1/s1
InChIKeyVSNDKGNKFHBNEJ-QZNUWAOFSA-N
MW691.96 g/mol
LogP12.33
Rot. Bonds5

About (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole

(4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole (PubChem CID 170933459) has the molecular formula C47H53N3O2 and a molecular weight of 691.96 g/mol. Its IUPAC name is (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole
PubChem CID170933459
Molecular FormulaC47H53N3O2
Molecular Weight691.96 g/mol
Exact Mass691.41
IUPAC Name(4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4cc(C(C)(C)C)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C2=N[C@](C)(c3ccccc3)C(C)(C)O2)c1
InChIInChI=1S/C47H53N3O2/c1-43(2,3)32-18-21-39-38(27-32)37-20-19-35(29-40(37)50(39)41-28-33(22-23-48-41)44(4,5)6)51-36-25-30(24-34(26-36)45(7,8)9)42-49-47(12,46(10,11)52-42)31-16-14-13-15-17-31/h13-29H,1-12H3/t47-/m1/s1
InChIKeyVSNDKGNKFHBNEJ-QZNUWAOFSA-N
XLogP12.33
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.96
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole with MolForge

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Related Compounds

(4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 170932836
(4R)-2-[3-tert-butyl-5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole;platinum(2+)
CID 170933458
(4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]-4-(2,4-dimethylpentan-3-yl)-4-methyl-5H-1,3-oxazole
CID 170933021
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 161137639
2-(3-tert-butyl-5-pyridin-2-ylphenoxy)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158919031
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 159884524
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 158248853
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157050579
CID 167381712
CID 167381712

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole?
The IUPAC name of (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole (CID 170933459) is (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole?
The canonical SMILES for (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole is CC(C)(C)c1cc(Oc2ccc3c4cc(C(C)(C)C)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C2=N[C@](C)(c3ccccc3)C(C)(C)O2)c1.
What is the InChIKey of (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole?
The InChIKey is VSNDKGNKFHBNEJ-QZNUWAOFSA-N. The full InChI is InChI=1S/C47H53N3O2/c1-43(2,3)32-18-21-39-38(27-32)37-20-19-35(29-40(37)50(39)41-28-33(22-23-48-41)44(4,5)6)51-36-25-30(24-34(26-36)45(7,8)9)42-49-47(12,46(10,11)52-42)31-16-14-13-15-17-31/h13-29H,1-12H3/t47-/m1/s1.
What are the key properties of (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole?
(4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole has a molecular weight of 691.96 g/mol, XLogP of 12.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 170933459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).