[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

C52H33FN6OPt — CID 165167770

IUPAC[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
SMILESFc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ncccn1
InChIInChI=1S/C52H33FN6O.Pt/c53-45-32-50(56-33-44(45)52-54-28-13-29-55-52)59-46-23-8-7-20-42(46)43-27-26-39(31-49(43)59)60-38-19-11-18-37(30-38)57-34-58(48-25-10-9-24-47(48)57)51-40(35-14-3-1-4-15-35)21-12-22-41(51)36-16-5-2-6-17-36;/h1-33H;
InChIKeyNNCOSZXFXCZGOC-UHFFFAOYSA-N
MW971.95 g/mol
LogP12.71
Rot. Bonds8

About [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 165167770) has the molecular formula C52H33FN6OPt and a molecular weight of 971.95 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
PubChem CID165167770
Molecular FormulaC52H33FN6OPt
Molecular Weight971.95 g/mol
Exact Mass971.23
IUPAC Name[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
SMILESFc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ncccn1
InChIInChI=1S/C52H33FN6O.Pt/c53-45-32-50(56-33-44(45)52-54-28-13-29-55-52)59-46-23-8-7-20-42(46)43-27-26-39(31-49(43)59)60-38-19-11-18-37(30-38)57-34-58(48-25-10-9-24-47(48)57)51-40(35-14-3-1-4-15-35)21-12-22-41(51)36-16-5-2-6-17-36;/h1-33H;
InChIKeyNNCOSZXFXCZGOC-UHFFFAOYSA-N
XLogP12.71
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.95
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 165167770) is [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is Fc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ncccn1.
What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
The InChIKey is NNCOSZXFXCZGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN6O.Pt/c53-45-32-50(56-33-44(45)52-54-28-13-29-55-52)59-46-23-8-7-20-42(46)43-27-26-39(31-49(43)59)60-38-19-11-18-37(30-38)57-34-58(48-25-10-9-24-47(48)57)51-40(35-14-3-1-4-15-35)21-12-22-41(51)36-16-5-2-6-17-36;/h1-33H;.
What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 971.95 g/mol, XLogP of 12.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).