CID 176843749

C64H47N4O2PtSi-3 — CID 176843749

IUPAC—
SMILES[CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Si]2(c5ccccc5Oc5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt]
InChIInChI=1S/C64H47N4O2Si.Pt/c1-64(2,3)44-36-37-65-60(38-44)68-52-30-19-35-58-61(52)62-53(68)40-47(41-59(62)71(58)56-33-15-13-31-54(56)70-55-32-14-16-34-57(55)71)69-46-25-17-24-45(39-46)66-50-28-11-12-29-51(50)67(4)63-48(42-20-7-5-8-21-42)26-18-27-49(63)43-22-9-6-10-23-43;/h5-38,41,66H,4H2,1-3H3;/q-3;
InChIKeyZIRLYAZPJBTPNB-UHFFFAOYSA-N
MW1127.27 g/mol
LogP13.67
Rot. Bonds9

About CID 176843749

CID 176843749 (PubChem CID 176843749) has the molecular formula C64H47N4O2PtSi-3 and a molecular weight of 1127.27 g/mol.

Molecular Properties

Compound NameCID 176843749
PubChem CID176843749
Molecular FormulaC64H47N4O2PtSi-3
Molecular Weight1127.27 g/mol
Exact Mass1126.31
IUPAC Name—
SMILES[CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Si]2(c5ccccc5Oc5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt]
InChIInChI=1S/C64H47N4O2Si.Pt/c1-64(2,3)44-36-37-65-60(38-44)68-52-30-19-35-58-61(52)62-53(68)40-47(41-59(62)71(58)56-33-15-13-31-54(56)70-55-32-14-16-34-57(55)71)69-46-25-17-24-45(39-46)66-50-28-11-12-29-51(50)67(4)63-48(42-20-7-5-8-21-42)26-18-27-49(63)43-22-9-6-10-23-43;/h5-38,41,66H,4H2,1-3H3;/q-3;
InChIKeyZIRLYAZPJBTPNB-UHFFFAOYSA-N
XLogP13.67
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.27
LogP ≤ 513.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 176843712
CID 176843712
CID 176843478
CID 176843478
CID 176843757
CID 176843757
CID 176843824
CID 176843824
CID 176843688
CID 176843688
CID 176843944
CID 176843944
CID 176843870
CID 176843870
9-(4-tert-butyl-2-pyridinyl)-6-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 166562634
CID 164734067
CID 164734067
CID 176843916
CID 176843916
CID 170654678
CID 170654678
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446625

Frequently Asked Questions

What is the IUPAC name of CID 176843749?
The IUPAC name of CID 176843749 (CID 176843749) is not available.
What is the SMILES notation for CID 176843749?
The canonical SMILES for CID 176843749 is [CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Si]2(c5ccccc5Oc5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt].
What is the InChIKey of CID 176843749?
The InChIKey is ZIRLYAZPJBTPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N4O2Si.Pt/c1-64(2,3)44-36-37-65-60(38-44)68-52-30-19-35-58-61(52)62-53(68)40-47(41-59(62)71(58)56-33-15-13-31-54(56)70-55-32-14-16-34-57(55)71)69-46-25-17-24-45(39-46)66-50-28-11-12-29-51(50)67(4)63-48(42-20-7-5-8-21-42)26-18-27-49(63)43-22-9-6-10-23-43;/h5-38,41,66H,4H2,1-3H3;/q-3;.
What are the key properties of CID 176843749?
CID 176843749 has a molecular weight of 1127.27 g/mol, XLogP of 13.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176843749 is sourced from PubChem (CID 176843749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).