2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum

C49H41N4O2Pt- — CID 162465906

IUPAC2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum
SMILESCC(C)(C)c1cc(-c2cc3oc(C(C)(C)C)nc3cc2O)nc(-n2c3[c-]c(-c4ccccn4)ccc3c3cc(-c4ccc(-c5ccccc5)cc4)ccc32)c1.[Pt]
InChIInChI=1S/C49H41N4O2.Pt/c1-48(2,3)35-26-40(38-28-45-41(29-44(38)54)52-47(55-45)49(4,5)6)51-46(27-35)53-42-22-20-33(32-17-15-31(16-18-32)30-12-8-7-9-13-30)24-37(42)36-21-19-34(25-43(36)53)39-14-10-11-23-50-39;/h7-24,26-29,54H,1-6H3;/q-1;
InChIKeyMATYKNUYAHEJQR-UHFFFAOYSA-N
MW912.97 g/mol
LogP12.48
Rot. Bonds5

About 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum

2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum (PubChem CID 162465906) has the molecular formula C49H41N4O2Pt- and a molecular weight of 912.97 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum.

Molecular Properties

Compound Name2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum
PubChem CID162465906
Molecular FormulaC49H41N4O2Pt-
Molecular Weight912.97 g/mol
Exact Mass912.29
IUPAC Name2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum
SMILESCC(C)(C)c1cc(-c2cc3oc(C(C)(C)C)nc3cc2O)nc(-n2c3[c-]c(-c4ccccn4)ccc3c3cc(-c4ccc(-c5ccccc5)cc4)ccc32)c1.[Pt]
InChIInChI=1S/C49H41N4O2.Pt/c1-48(2,3)35-26-40(38-28-45-41(29-44(38)54)52-47(55-45)49(4,5)6)51-46(27-35)53-42-22-20-33(32-17-15-31(16-18-32)30-12-8-7-9-13-30)24-37(42)36-21-19-34(25-43(36)53)39-14-10-11-23-50-39;/h7-24,26-29,54H,1-6H3;/q-1;
InChIKeyMATYKNUYAHEJQR-UHFFFAOYSA-N
XLogP12.48
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.97
LogP ≤ 512.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[[5-(difluoromethoxy)-2-[2-methyl-3-[2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]phenyl]phenyl]-1,3-benzoxazol-6-yl]methyl]pyrrolidine-2-carboxylic acid
CID 155038354
methyl (2S)-1-[[5-(difluoromethoxy)-2-[3-[3-[[3-(hydroxymethyl)-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-6-yl]methyl]pyrrolidine-2-carboxylate
CID 156788295
4-Fluoro-2-methyl-6-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)-1,3-benzoxazol-5-ol
CID 162433675
2,4-Ditert-butyl-6-[4-[3-tert-butyl-5-[8-(2,5-ditert-butyl-1,3-oxazol-4-yl)-7-(trifluoromethyl)-[1]benzofuro[2,3-c]pyridin-1-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 171746059
(2S)-1-[[5-(difluoromethoxy)-2-[3-[3-[[3-(hydroxymethyl)-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-6-yl]methyl]pyrrolidine-2-carboxylic acid
CID 175360658
2-tert-butyl-9-[difluoro-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)methyl]-5-phenyl-7-pyridin-2-yl-8H-[1]benzofuro[3,2-e][1,3]benzoxazol-8-ide;platinum(2+)
CID 176646068
2-Tert-butyl-9-[difluoro-(9-pyridin-2-ylcarbazol-2-yl)methyl]-5-phenyl-7-pyridin-2-yl-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 176646069
3-[4-[3-[9-(4,6-Diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 117747544
8-[6-[3-[9-(4,6-Diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 117747559
3-[4-[3-[9-(4,6-Diphenyl-2-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 117747806
8-[6-[3-[9-(4,6-Diphenyl-2-pyridinyl)carbazol-2-yl]carbazol-9-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 117747823
3-[4-[2-[9-(4,6-Diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 117748125

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum?
The IUPAC name of 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum (CID 162465906) is 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum.
What is the SMILES notation for 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum?
The canonical SMILES for 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum is CC(C)(C)c1cc(-c2cc3oc(C(C)(C)C)nc3cc2O)nc(-n2c3[c-]c(-c4ccccn4)ccc3c3cc(-c4ccc(-c5ccccc5)cc4)ccc32)c1.[Pt].
What is the InChIKey of 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum?
The InChIKey is MATYKNUYAHEJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N4O2.Pt/c1-48(2,3)35-26-40(38-28-45-41(29-44(38)54)52-47(55-45)49(4,5)6)51-46(27-35)53-42-22-20-33(32-17-15-31(16-18-32)30-12-8-7-9-13-30)24-37(42)36-21-19-34(25-43(36)53)39-14-10-11-23-50-39;/h7-24,26-29,54H,1-6H3;/q-1;.
What are the key properties of 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum?
2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum has a molecular weight of 912.97 g/mol, XLogP of 12.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-tert-butyl-6-[6-(4-phenylphenyl)-2-pyridin-2-yl-1H-carbazol-1-id-9-yl]-2-pyridinyl]-1,3-benzoxazol-5-ol;platinum is sourced from PubChem (CID 162465906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).