platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide

C44H32N4OPt — CID 170521813

IUPACplatinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide
SMILESCC1(C)c2ccc(-c3cccc4oc5ccc(-n6c7ccccc7c7cccnc76)[c-]c5c34)[c-]c2-n2ncc(-c3ccccc3)c2C1(C)C.[Pt+2]
InChIInChI=1S/C44H32N4O.Pt/c1-43(2)35-21-19-28(24-37(35)48-41(44(43,3)4)34(26-46-48)27-12-6-5-7-13-27)30-15-10-18-39-40(30)33-25-29(20-22-38(33)49-39)47-36-17-9-8-14-31(36)32-16-11-23-45-42(32)47;/h5-23,26H,1-4H3;/q-2;+2
InChIKeyTZHBCDKILLDLHL-UHFFFAOYSA-N
MW827.85 g/mol
LogP10.76
Rot. Bonds3

About platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide

platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide (PubChem CID 170521813) has the molecular formula C44H32N4OPt and a molecular weight of 827.85 g/mol. Its IUPAC name is platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide.

Molecular Properties

Compound Nameplatinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide
PubChem CID170521813
Molecular FormulaC44H32N4OPt
Molecular Weight827.85 g/mol
Exact Mass827.22
IUPAC Nameplatinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide
SMILESCC1(C)c2ccc(-c3cccc4oc5ccc(-n6c7ccccc7c7cccnc76)[c-]c5c34)[c-]c2-n2ncc(-c3ccccc3)c2C1(C)C.[Pt+2]
InChIInChI=1S/C44H32N4O.Pt/c1-43(2)35-21-19-28(24-37(35)48-41(44(43,3)4)34(26-46-48)27-12-6-5-7-13-27)30-15-10-18-39-40(30)33-25-29(20-22-38(33)49-39)47-36-17-9-8-14-31(36)32-16-11-23-45-42(32)47;/h5-23,26H,1-4H3;/q-2;+2
InChIKeyTZHBCDKILLDLHL-UHFFFAOYSA-N
XLogP10.76
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.85
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide with MolForge

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Related Compounds

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9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]pyrido[2,3-b]indole
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9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 156578035
15-dibenzofuran-3-yl-4-[3-[3-(8,8-dimethyl-15,18-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-15-yl)carbazol-9-yl]phenyl]-8,8-dimethyl-15,17-diazahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16(21),17,19,22-undecaene
CID 163425109
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CID 157162947
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Frequently Asked Questions

What is the IUPAC name of platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide?
The IUPAC name of platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide (CID 170521813) is platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide.
What is the SMILES notation for platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide?
The canonical SMILES for platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide is CC1(C)c2ccc(-c3cccc4oc5ccc(-n6c7ccccc7c7cccnc76)[c-]c5c34)[c-]c2-n2ncc(-c3ccccc3)c2C1(C)C.[Pt+2].
What is the InChIKey of platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide?
The InChIKey is TZHBCDKILLDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4O.Pt/c1-43(2)35-21-19-28(24-37(35)48-41(44(43,3)4)34(26-46-48)27-12-6-5-7-13-27)30-15-10-18-39-40(30)33-25-29(20-22-38(33)49-39)47-36-17-9-8-14-31(36)32-16-11-23-45-42(32)47;/h5-23,26H,1-4H3;/q-2;+2.
What are the key properties of platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide?
platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide has a molecular weight of 827.85 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);4,4,5,5-tetramethyl-3-phenyl-8-(8-pyrido[2,3-b]indol-9-yl-9H-dibenzofuran-9-id-1-yl)-9H-pyrazolo[1,5-a]quinolin-9-ide is sourced from PubChem (CID 170521813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).