[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C71H50N4O2Pt — CID 177099196

IUPAC[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)ccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)c1
InChIInChI=1S/C71H50N4O2.Pt/c1-70(2,3)48-38-39-72-68(40-48)75-64-42-51(36-37-55(64)57-43-56-54-26-10-11-29-58(54)71(61(56)44-65(57)75)59-30-12-16-34-66(59)77-67-35-17-13-31-60(67)71)76-50-25-18-24-49(41-50)73-45-74(63-33-15-14-32-62(63)73)69-52(46-20-6-4-7-21-46)27-19-28-53(69)47-22-8-5-9-23-47;/h4-44H,1-3H3;
InChIKeyMUSFQXCYJOOIPY-UHFFFAOYSA-N
MW1186.28 g/mol
LogP17.88
Rot. Bonds7

About [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 177099196) has the molecular formula C71H50N4O2Pt and a molecular weight of 1186.28 g/mol. Its IUPAC name is [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
PubChem CID177099196
Molecular FormulaC71H50N4O2Pt
Molecular Weight1186.28 g/mol
Exact Mass1185.36
IUPAC Name[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)ccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)c1
InChIInChI=1S/C71H50N4O2.Pt/c1-70(2,3)48-38-39-72-68(40-48)75-64-42-51(36-37-55(64)57-43-56-54-26-10-11-29-58(54)71(61(56)44-65(57)75)59-30-12-16-34-66(59)77-67-35-17-13-31-60(67)71)76-50-25-18-24-49(41-50)73-45-74(63-33-15-14-32-62(63)73)69-52(46-20-6-4-7-21-46)27-19-28-53(69)47-22-8-5-9-23-47;/h4-44H,1-3H3;
InChIKeyMUSFQXCYJOOIPY-UHFFFAOYSA-N
XLogP17.88
TPSA46.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001186.28
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum
CID 177099172
[1-(3,5-ditert-butylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum
CID 177099275
[1-[3-[5-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]benzimidazol-2-ylidene]platinum
CID 177099176
[1-[3-[[10-(4-tert-butyl-2-pyridinyl)-10'-phenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796977
[1-[3-[[3,6-ditert-butyl-10'-(4-tert-butyl-2-pyridinyl)-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796969
[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
5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 177099215
[1-[3-[[17,25-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15(20),16,18,23,25-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796644
2-[3-[3-[4-[2-tert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-2,6-diphenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172545696
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[10'-(4-tert-butyl-2-pyridinyl)-3,6,10-triphenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796934
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole
CID 172545781
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177303457

Frequently Asked Questions

What is the IUPAC name of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 177099196) is [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)ccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)c1.
What is the InChIKey of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The InChIKey is MUSFQXCYJOOIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N4O2.Pt/c1-70(2,3)48-38-39-72-68(40-48)75-64-42-51(36-37-55(64)57-43-56-54-26-10-11-29-58(54)71(61(56)44-65(57)75)59-30-12-16-34-66(59)77-67-35-17-13-31-60(67)71)76-50-25-18-24-49(41-50)73-45-74(63-33-15-14-32-62(63)73)69-52(46-20-6-4-7-21-46)27-19-28-53(69)47-22-8-5-9-23-47;/h4-44H,1-3H3;.
What are the key properties of [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1186.28 g/mol, XLogP of 17.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 177099196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).