CID 164733962

C63H50N4OPtSi-2 — CID 164733962

IUPAC—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+]6c7c(cccc75)-c5c7cccc5C(C)(C)[Si](C)(C)c5ccccc5-c5cccc(c5-6)-c5ccccc5-7)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C63H50N4OSi.Pt/c1-62(2,3)40-34-35-64-58(36-40)67-54-29-12-10-22-46(54)47-33-32-43(38-56(47)67)68-42-19-14-18-41(37-42)65-39-66-60-50-25-15-26-51(60)48-23-11-13-31-57(48)69(6,7)63(4,5)53-28-16-24-49(44-20-8-9-21-45(44)50)59(53)52-27-17-30-55(65)61(52)66;/h8-36H,1-7H3;/q-2;
InChIKeyUEUJHVXQQUFBFE-UHFFFAOYSA-N
MW1102.28 g/mol
LogP14.61
Rot. Bonds4

About CID 164733962

CID 164733962 (PubChem CID 164733962) has the molecular formula C63H50N4OPtSi-2 and a molecular weight of 1102.28 g/mol.

Molecular Properties

Compound NameCID 164733962
PubChem CID164733962
Molecular FormulaC63H50N4OPtSi-2
Molecular Weight1102.28 g/mol
Exact Mass1101.34
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+]6c7c(cccc75)-c5c7cccc5C(C)(C)[Si](C)(C)c5ccccc5-c5cccc(c5-6)-c5ccccc5-7)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C63H50N4OSi.Pt/c1-62(2,3)40-34-35-64-58(36-40)67-54-29-12-10-22-46(54)47-33-32-43(38-56(47)67)68-42-19-14-18-41(37-42)65-39-66-60-50-25-15-26-51(60)48-23-11-13-31-57(48)69(6,7)63(4,5)53-28-16-24-49(44-20-8-9-21-45(44)50)59(53)52-27-17-30-55(65)61(52)66;/h8-36H,1-7H3;/q-2;
InChIKeyUEUJHVXQQUFBFE-UHFFFAOYSA-N
XLogP14.61
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.28
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 164734067
CID 164734067
CID 164734020
CID 164734020
CID 171731710
CID 171731710
CID 171048351
CID 171048351
CID 171046979
CID 171046979
CID 164734023
CID 164734023
CID 171047857
CID 171047857
CID 171046482
CID 171046482
CID 171047947
CID 171047947
CID 171046719
CID 171046719
CID 171047665
CID 171047665
CID 168782405
CID 168782405

Frequently Asked Questions

What is the IUPAC name of CID 164733962?
The IUPAC name of CID 164733962 (CID 164733962) is not available.
What is the SMILES notation for CID 164733962?
The canonical SMILES for CID 164733962 is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+]6c7c(cccc75)-c5c7cccc5C(C)(C)[Si](C)(C)c5ccccc5-c5cccc(c5-6)-c5ccccc5-7)ccc4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of CID 164733962?
The InChIKey is UEUJHVXQQUFBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N4OSi.Pt/c1-62(2,3)40-34-35-64-58(36-40)67-54-29-12-10-22-46(54)47-33-32-43(38-56(47)67)68-42-19-14-18-41(37-42)65-39-66-60-50-25-15-26-51(60)48-23-11-13-31-57(48)69(6,7)63(4,5)53-28-16-24-49(44-20-8-9-21-45(44)50)59(53)52-27-17-30-55(65)61(52)66;/h8-36H,1-7H3;/q-2;.
What are the key properties of CID 164733962?
CID 164733962 has a molecular weight of 1102.28 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164733962 is sourced from PubChem (CID 164733962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).