6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)

C67H51N5O2Pt — CID 59358976

IUPAC6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)
SMILESCCC(C)COc1ccc(-c2c(C)nn(-c3[c-]cccc3)c2C)cc1.[Pt+2].[c-]1cccc2c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)ccc3c3ccnn3c12
InChIInChI=1S/C45H26N3O.C22H25N2O.Pt/c1-4-13-40-34(11-1)38-26-30(31-18-21-45-39(27-31)36-12-3-6-15-44(36)49-45)17-20-41(38)47(40)32-9-7-8-28(24-32)29-16-19-35-37(25-29)33-10-2-5-14-42(33)48-43(35)22-23-46-48;1-5-16(2)15-25-21-13-11-19(12-14-21)22-17(3)23-24(18(22)4)20-9-7-6-8-10-20;/h1-13,15-27H;6-9,11-14,16H,5,15H2,1-4H3;/q2*-1;+2
InChIKeyQBLNJLDYBVGQPK-UHFFFAOYSA-N
MW1153.26 g/mol
LogP17.15
Rot. Bonds9

About 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)

6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+) (PubChem CID 59358976) has the molecular formula C67H51N5O2Pt and a molecular weight of 1153.26 g/mol. Its IUPAC name is 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+).

Molecular Properties

Compound Name6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)
PubChem CID59358976
Molecular FormulaC67H51N5O2Pt
Molecular Weight1153.26 g/mol
Exact Mass1152.37
IUPAC Name6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)
SMILESCCC(C)COc1ccc(-c2c(C)nn(-c3[c-]cccc3)c2C)cc1.[Pt+2].[c-]1cccc2c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)ccc3c3ccnn3c12
InChIInChI=1S/C45H26N3O.C22H25N2O.Pt/c1-4-13-40-34(11-1)38-26-30(31-18-21-45-39(27-31)36-12-3-6-15-44(36)49-45)17-20-41(38)47(40)32-9-7-8-28(24-32)29-16-19-35-37(25-29)33-10-2-5-14-42(33)48-43(35)22-23-46-48;1-5-16(2)15-25-21-13-11-19(12-14-21)22-17(3)23-24(18(22)4)20-9-7-6-8-10-20;/h1-13,15-27H;6-9,11-14,16H,5,15H2,1-4H3;/q2*-1;+2
InChIKeyQBLNJLDYBVGQPK-UHFFFAOYSA-N
XLogP17.15
TPSA62.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.26
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 23505906
N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine
CID 23505913
22,22'-Dimethyl-17-[4-(trifluoromethyl)-5-aza-6,8-diazoniatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaen-5-yl]spiro[3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16(21),17,19,22-undecaene-14,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 145671448
CID 157328375
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Argon;1-benzofuran-4-ylphosphane;benzylphosphane;carbazol-9-ylphosphane;[difluoro(phenyl)methyl]phosphane;isoquinolin-1-ylphosphane;(1-methylindazol-4-yl)phosphane;(1-methylindol-4-yl)phosphane;naphthalen-1-ylphosphane
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5-(3-Dibenzofuran-2-ylphenyl)-12-[3-[3-[3-[3-[5-(3-dibenzofuran-2-ylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
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CID 58084684

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)?
The IUPAC name of 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+) (CID 59358976) is 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+).
What is the SMILES notation for 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)?
The canonical SMILES for 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+) is CCC(C)COc1ccc(-c2c(C)nn(-c3[c-]cccc3)c2C)cc1.[Pt+2].[c-]1cccc2c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)ccc3c3ccnn3c12.
What is the InChIKey of 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)?
The InChIKey is QBLNJLDYBVGQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N3O.C22H25N2O.Pt/c1-4-13-40-34(11-1)38-26-30(31-18-21-45-39(27-31)36-12-3-6-15-44(36)49-45)17-20-41(38)47(40)32-9-7-8-28(24-32)29-16-19-35-37(25-29)33-10-2-5-14-42(33)48-43(35)22-23-46-48;1-5-16(2)15-25-21-13-11-19(12-14-21)22-17(3)23-24(18(22)4)20-9-7-6-8-10-20;/h1-13,15-27H;6-9,11-14,16H,5,15H2,1-4H3;/q2*-1;+2.
What are the key properties of 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)?
6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+) has a molecular weight of 1153.26 g/mol, XLogP of 17.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+) is sourced from PubChem (CID 59358976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).