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+)

C46H30F2N4O2Pt — CID 176646068

IUPAC2-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+)
SMILESCC(C)(C)c1nc2c(cc(-c3ccccc3)c3oc4c(-c5ccccn5)[c-]c(C(F)(F)c5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)cc4c32)o1.[Pt+2]
InChIInChI=1S/C46H30F2N4O2.Pt/c1-45(2,3)44-51-41-38(53-44)26-32(27-13-5-4-6-14-27)43-40(41)34-24-29(23-33(42(34)54-43)35-16-9-11-21-49-35)46(47,48)28-19-20-31-30-15-7-8-17-36(30)52(37(31)25-28)39-18-10-12-22-50-39;/h4-22,24,26H,1-3H3;/q-2;+2
InChIKeyBMMACNFNOJFLQC-UHFFFAOYSA-N
MW903.85 g/mol
LogP11.98
Rot. Bonds5

About 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+)

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+) (PubChem CID 176646068) has the molecular formula C46H30F2N4O2Pt and a molecular weight of 903.85 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name2-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+)
PubChem CID176646068
Molecular FormulaC46H30F2N4O2Pt
Molecular Weight903.85 g/mol
Exact Mass903.20
IUPAC Name2-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+)
SMILESCC(C)(C)c1nc2c(cc(-c3ccccc3)c3oc4c(-c5ccccn5)[c-]c(C(F)(F)c5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)cc4c32)o1.[Pt+2]
InChIInChI=1S/C46H30F2N4O2.Pt/c1-45(2,3)44-51-41-38(53-44)26-32(27-13-5-4-6-14-27)43-40(41)34-24-29(23-33(42(34)54-43)35-16-9-11-21-49-35)46(47,48)28-19-20-31-30-15-7-8-17-36(30)52(37(31)25-28)39-18-10-12-22-50-39;/h4-22,24,26H,1-3H3;/q-2;+2
InChIKeyBMMACNFNOJFLQC-UHFFFAOYSA-N
XLogP11.98
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.85
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1nc2c(cc(-c3ccccc3)c3oc4c(-c5ccccn5)[c-]c(C(F)(F)c5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)cc4c32)o1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is BMMACNFNOJFLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30F2N4O2.Pt/c1-45(2,3)44-51-41-38(53-44)26-32(27-13-5-4-6-14-27)43-40(41)34-24-29(23-33(42(34)54-43)35-16-9-11-21-49-35)46(47,48)28-19-20-31-30-15-7-8-17-36(30)52(37(31)25-28)39-18-10-12-22-50-39;/h4-22,24,26H,1-3H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 903.85 g/mol, XLogP of 11.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 176646068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).