[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

C72H46N6OPt — CID 164804312

IUPAC[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(-n7c8ccccc8c8ccccc87)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C72H46N6O.Pt/c1-3-20-48(21-4-1)61-43-52(77-65-33-14-9-28-57(65)58-29-10-15-34-66(58)77)44-62(49-22-5-2-6-23-49)72(61)75-47-74(68-36-17-18-37-69(68)75)50-24-19-25-53(42-50)79-54-38-39-60-59-30-11-16-35-67(59)78(70(60)46-54)71-45-51(40-41-73-71)76-63-31-12-7-26-55(63)56-27-8-13-32-64(56)76;/h1-46H;/i1D,2D,3D,4D,5D,6D,20D,21D,22D,23D;
InChIKeyVHPHKBZSUIFYLZ-JWASOOHGSA-N
MW1216.34 g/mol
LogP18.31
Rot. Bonds9

About [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 164804312) has the molecular formula C72H46N6OPt and a molecular weight of 1216.34 g/mol. Its IUPAC name is [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
PubChem CID164804312
Molecular FormulaC72H46N6OPt
Molecular Weight1216.34 g/mol
Exact Mass1215.40
IUPAC Name[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(-n7c8ccccc8c8ccccc87)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C72H46N6O.Pt/c1-3-20-48(21-4-1)61-43-52(77-65-33-14-9-28-57(65)58-29-10-15-34-66(58)77)44-62(49-22-5-2-6-23-49)72(61)75-47-74(68-36-17-18-37-69(68)75)50-24-19-25-53(42-50)79-54-38-39-60-59-30-11-16-35-67(59)78(70(60)46-54)71-45-51(40-41-73-71)76-63-31-12-7-26-55(63)56-27-8-13-32-64(56)76;/h1-46H;/i1D,2D,3D,4D,5D,6D,20D,21D,22D,23D;
InChIKeyVHPHKBZSUIFYLZ-JWASOOHGSA-N
XLogP18.31
TPSA46.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001216.34
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 164804293
[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804295
[1-[3-[9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804371
[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804195
[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804241
[1-[3-[3-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804239
[1-[3-[9-[3,6-dideuterio-4,5-bis(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 176871163
[1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167722
[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 171056672
[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804287
[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]-3-[2,4-dioxo-6,8-bis(2,3,4,5,6-pentadeuteriophenyl)-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl]benzimidazol-2-ylidene]platinum
CID 171056765
20-[2-[2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-6-phenylcarbazol-9-yl]-4-pyridinyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 166053012

Frequently Asked Questions

What is the IUPAC name of [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 164804312) is [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(-n7c8ccccc8c8ccccc87)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
The InChIKey is VHPHKBZSUIFYLZ-JWASOOHGSA-N. The full InChI is InChI=1S/C72H46N6O.Pt/c1-3-20-48(21-4-1)61-43-52(77-65-33-14-9-28-57(65)58-29-10-15-34-66(58)77)44-62(49-22-5-2-6-23-49)72(61)75-47-74(68-36-17-18-37-69(68)75)50-24-19-25-53(42-50)79-54-38-39-60-59-30-11-16-35-67(59)78(70(60)46-54)71-45-51(40-41-73-71)76-63-31-12-7-26-55(63)56-27-8-13-32-64(56)76;/h1-46H;/i1D,2D,3D,4D,5D,6D,20D,21D,22D,23D;.
What are the key properties of [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?
[1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1216.34 g/mol, XLogP of 18.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 164804312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).