[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

C63H50N4O2Pt — CID 177099275

IUPAC[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
SMILESCC(C)(C)c1cc(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc7c(cc6n(-c6ccccn6)c5c4)C4(c5ccccc5Oc5ccccc54)c4ccccc4-7)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C63H50N4O2.Pt/c1-61(2,3)40-32-41(62(4,5)6)34-43(33-40)66-39-65(54-24-11-12-25-55(54)66)42-18-17-19-44(35-42)68-45-29-30-47-49-37-48-46-20-7-8-21-50(46)63(51-22-9-13-26-58(51)69-59-27-14-10-23-52(59)63)53(48)38-57(49)67(56(47)36-45)60-28-15-16-31-64-60;/h7-38H,1-6H3;
InChIKeyFVHNCIWTFXRLNI-UHFFFAOYSA-N
MW1090.20 g/mol
LogP15.85
Rot. Bonds5

About [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

[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 (PubChem CID 177099275) has the molecular formula C63H50N4O2Pt and a molecular weight of 1090.20 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID177099275
Molecular FormulaC63H50N4O2Pt
Molecular Weight1090.20 g/mol
Exact Mass1089.36
IUPAC Name[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
SMILESCC(C)(C)c1cc(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc7c(cc6n(-c6ccccn6)c5c4)C4(c5ccccc5Oc5ccccc54)c4ccccc4-7)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C63H50N4O2.Pt/c1-61(2,3)40-32-41(62(4,5)6)34-43(33-40)66-39-65(54-24-11-12-25-55(54)66)42-18-17-19-44(35-42)68-45-29-30-47-49-37-48-46-20-7-8-21-50(46)63(51-22-9-13-26-58(51)69-59-27-14-10-23-52(59)63)53(48)38-57(49)67(56(47)36-45)60-28-15-16-31-64-60;/h7-38H,1-6H3;
InChIKeyFVHNCIWTFXRLNI-UHFFFAOYSA-N
XLogP15.85
TPSA46.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.20
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 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-(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
[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
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 176784106
[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-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
CID 176871184
[1-(3-tert-butylphenyl)-3-[4-tert-butyl-3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5,6-dimethylbenzimidazol-2-ylidene]platinum
CID 176871112
[5-methyl-1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
CID 176871172
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1cc(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc7c(cc6n(-c6ccccn6)c5c4)C4(c5ccccc5Oc5ccccc54)c4ccccc4-7)c3)c3ccccc32)cc(C(C)(C)C)c1.
What is the InChIKey of [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?
The InChIKey is FVHNCIWTFXRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N4O2.Pt/c1-61(2,3)40-32-41(62(4,5)6)34-43(33-40)66-39-65(54-24-11-12-25-55(54)66)42-18-17-19-44(35-42)68-45-29-30-47-49-37-48-46-20-7-8-21-50(46)63(51-22-9-13-26-58(51)69-59-27-14-10-23-52(59)63)53(48)38-57(49)67(56(47)36-45)60-28-15-16-31-64-60;/h7-38H,1-6H3;.
What are the key properties of [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?
[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 has a molecular weight of 1090.20 g/mol, XLogP of 15.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 177099275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).