CID 170668573

C60H50N7Pt-3 — CID 170668573

IUPAC—
SMILESCC(C)(C)c1cc(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3nccnc32)[c-]c(N(c2[c-]c3c(cc2)-c2ccccc2-c2ccc(-c4ccccc4)cc2N3c2ccccn2)c2ccccc2)c1.[Pt]
InChIInChI=1S/C60H50N7.Pt/c1-59(2,3)43-20-17-23-46(35-43)64-40-65(58-57(64)62-32-33-63-58)48-36-44(60(4,5)6)37-49(38-48)66(45-21-11-8-12-22-45)47-28-30-53-51-25-14-13-24-50(51)52-29-27-42(41-18-9-7-10-19-41)34-54(52)67(55(53)39-47)56-26-15-16-31-61-56;/h7-37,40H,1-6H3;/q-3;
InChIKeyMKYYFCWCPFBZJP-UHFFFAOYSA-N
MW1064.19 g/mol
LogP15.73
Rot. Bonds7

About CID 170668573

CID 170668573 (PubChem CID 170668573) has the molecular formula C60H50N7Pt-3 and a molecular weight of 1064.19 g/mol.

Molecular Properties

Compound NameCID 170668573
PubChem CID170668573
Molecular FormulaC60H50N7Pt-3
Molecular Weight1064.19 g/mol
Exact Mass1063.38
IUPAC Name—
SMILESCC(C)(C)c1cc(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3nccnc32)[c-]c(N(c2[c-]c3c(cc2)-c2ccccc2-c2ccc(-c4ccccc4)cc2N3c2ccccn2)c2ccccc2)c1.[Pt]
InChIInChI=1S/C60H50N7.Pt/c1-59(2,3)43-20-17-23-46(35-43)64-40-65(58-57(64)62-32-33-63-58)48-36-44(60(4,5)6)37-49(38-48)66(45-21-11-8-12-22-45)47-28-30-53-51-25-14-13-24-50(51)52-29-27-42(41-18-9-7-10-19-41)34-54(52)67(55(53)39-47)56-26-15-16-31-61-56;/h7-37,40H,1-6H3;/q-3;
InChIKeyMKYYFCWCPFBZJP-UHFFFAOYSA-N
XLogP15.73
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.19
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 170668738
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CID 170668675
CID 170668675
CID 170668665
CID 170668665
CID 170668620
CID 170668620
N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 155651161
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum
CID 162448816
1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
CID 155651328
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 168830498
CID 176782986
CID 176782986
N-[3-[3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-3-ium-1-yl]-5-phenylphenyl]-N-phenyl-14-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 170668723
CID 176783451
CID 176783451

Frequently Asked Questions

What is the IUPAC name of CID 170668573?
The IUPAC name of CID 170668573 (CID 170668573) is not available.
What is the SMILES notation for CID 170668573?
The canonical SMILES for CID 170668573 is CC(C)(C)c1cc(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3nccnc32)[c-]c(N(c2[c-]c3c(cc2)-c2ccccc2-c2ccc(-c4ccccc4)cc2N3c2ccccn2)c2ccccc2)c1.[Pt].
What is the InChIKey of CID 170668573?
The InChIKey is MKYYFCWCPFBZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N7.Pt/c1-59(2,3)43-20-17-23-46(35-43)64-40-65(58-57(64)62-32-33-63-58)48-36-44(60(4,5)6)37-49(38-48)66(45-21-11-8-12-22-45)47-28-30-53-51-25-14-13-24-50(51)52-29-27-42(41-18-9-7-10-19-41)34-54(52)67(55(53)39-47)56-26-15-16-31-61-56;/h7-37,40H,1-6H3;/q-3;.
What are the key properties of CID 170668573?
CID 170668573 has a molecular weight of 1064.19 g/mol, XLogP of 15.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170668573 is sourced from PubChem (CID 170668573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).