[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

C70H51N5OPt — CID 164804371

IUPAC[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
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(C(C)(C)C)c(-c7ccccc7)cn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C70H51N5O.Pt/c1-70(2,3)61-44-68(71-45-60(61)49-26-11-6-12-27-49)75-64-35-18-15-32-56(64)57-39-38-53(43-67(57)75)76-52-29-21-28-50(40-52)72-46-73(66-37-20-19-36-65(66)72)69-58(47-22-7-4-8-23-47)41-51(42-59(69)48-24-9-5-10-25-48)74-62-33-16-13-30-54(62)55-31-14-17-34-63(55)74;/h4-45H,1-3H3;/i4D,5D,7D,8D,9D,10D,22D,23D,24D,25D;
InChIKeyIEJNNJWACVDKOQ-RKVBUYLDSA-N
MW1183.35 g/mol
LogP18.18
Rot. Bonds9

About [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

[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 (PubChem CID 164804371) has the molecular formula C70H51N5OPt and a molecular weight of 1183.35 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID164804371
Molecular FormulaC70H51N5OPt
Molecular Weight1183.35 g/mol
Exact Mass1182.44
IUPAC Name[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
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(C(C)(C)C)c(-c7ccccc7)cn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C70H51N5O.Pt/c1-70(2,3)61-44-68(71-45-60(61)49-26-11-6-12-27-49)75-64-35-18-15-32-56(64)57-39-38-53(43-67(57)75)76-52-29-21-28-50(40-52)72-46-73(66-37-20-19-36-65(66)72)69-58(47-22-7-4-8-23-47)41-51(42-59(69)48-24-9-5-10-25-48)74-62-33-16-13-30-54(62)55-31-14-17-34-63(55)74;/h4-45H,1-3H3;/i4D,5D,7D,8D,9D,10D,22D,23D,24D,25D;
InChIKeyIEJNNJWACVDKOQ-RKVBUYLDSA-N
XLogP18.18
TPSA41.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.35
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 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-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 164804312
[1-[3-[9-(4-tert-butyl-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167796
[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-[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-(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-(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-[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-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167654
[1-[3-[[9-(4-tert-butyl-5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804317
9-[3-[4-tert-butyl-6-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-3-pyridinyl]phenyl]-1,2,3,4,5,7,8-heptadeuteriocarbazole
CID 164726821

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 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(C(C)(C)C)c(-c7ccccc7)cn6)c5c4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of [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?
The InChIKey is IEJNNJWACVDKOQ-RKVBUYLDSA-N. The full InChI is InChI=1S/C70H51N5O.Pt/c1-70(2,3)61-44-68(71-45-60(61)49-26-11-6-12-27-49)75-64-35-18-15-32-56(64)57-39-38-53(43-67(57)75)76-52-29-21-28-50(40-52)72-46-73(66-37-20-19-36-65(66)72)69-58(47-22-7-4-8-23-47)41-51(42-59(69)48-24-9-5-10-25-48)74-62-33-16-13-30-54(62)55-31-14-17-34-63(55)74;/h4-45H,1-3H3;/i4D,5D,7D,8D,9D,10D,22D,23D,24D,25D;.
What are the key properties of [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?
[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 has a molecular weight of 1183.35 g/mol, XLogP of 18.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 164804371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).