CID 162777242

C36H30N2O2PtS — CID 162777242

IUPAC—
SMILESCC(C)(C)c1ccc(-c2cccc(Oc3[c-]c(-c4[c-]ccc(C(C)(C)C)c4)c4oc5cccc6sc3c4c56)n2)nc1.[Pt+2]
InChIInChI=1S/C36H30N2O2S.Pt/c1-35(2,3)22-11-7-10-21(18-22)24-19-28(34-32-31-27(40-33(24)32)13-9-14-29(31)41-34)39-30-15-8-12-26(38-30)25-17-16-23(20-37-25)36(4,5)6;/h7-9,11-18,20H,1-6H3;/q-2;+2
InChIKeySZGOVYWSBUWMPK-UHFFFAOYSA-N
MW749.79 g/mol
LogP10.35
Rot. Bonds4

About CID 162777242

CID 162777242 (PubChem CID 162777242) has the molecular formula C36H30N2O2PtS and a molecular weight of 749.79 g/mol.

Molecular Properties

Compound NameCID 162777242
PubChem CID162777242
Molecular FormulaC36H30N2O2PtS
Molecular Weight749.79 g/mol
Exact Mass749.17
IUPAC Name—
SMILESCC(C)(C)c1ccc(-c2cccc(Oc3[c-]c(-c4[c-]ccc(C(C)(C)C)c4)c4oc5cccc6sc3c4c56)n2)nc1.[Pt+2]
InChIInChI=1S/C36H30N2O2S.Pt/c1-35(2,3)22-11-7-10-21(18-22)24-19-28(34-32-31-27(40-33(24)32)13-9-14-29(31)41-34)39-30-15-8-12-26(38-30)25-17-16-23(20-37-25)36(4,5)6;/h7-9,11-18,20H,1-6H3;/q-2;+2
InChIKeySZGOVYWSBUWMPK-UHFFFAOYSA-N
XLogP10.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.79
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butylbenzene-6-id-1-yl)-4-[[6-(4-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]oxy]-6,14-dioxa-3-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;platinum(2+)
CID 162777369
4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6-oxa-14-thiatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaen-2-yl]pyridine
CID 162777485
CID 162777282
CID 162777282
3-tert-butyl-2-[3-tert-butyl-5-(6-oxa-14-thiatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-yl)phenoxy]-6-pyridin-2-ylpyridine
CID 162777351
3-[4-tert-butyl-6-(2-tert-butyl-5-phenylbenzene-6-id-1-yl)oxy-2-pyridinyl]-6,14-dioxa-2-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7(12),8,10-hexaene;platinum(2+)
CID 162777178
4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
CID 162777491
CID 168721177
CID 168721177
5-tert-butyl-2-(3-tert-butylbenzene-6-id-1-yl)pyridine;4-(2,7-ditert-butylcarbazol-9-yl)-6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium
CID 176851685
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
CID 170780795
CID 170780795
2-(3-tert-butylbenzene-6-id-1-yl)-4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)-5-methylpyridine;4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium
CID 164802720
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162776747

Frequently Asked Questions

What is the IUPAC name of CID 162777242?
The IUPAC name of CID 162777242 (CID 162777242) is not available.
What is the SMILES notation for CID 162777242?
The canonical SMILES for CID 162777242 is CC(C)(C)c1ccc(-c2cccc(Oc3[c-]c(-c4[c-]ccc(C(C)(C)C)c4)c4oc5cccc6sc3c4c56)n2)nc1.[Pt+2].
What is the InChIKey of CID 162777242?
The InChIKey is SZGOVYWSBUWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O2S.Pt/c1-35(2,3)22-11-7-10-21(18-22)24-19-28(34-32-31-27(40-33(24)32)13-9-14-29(31)41-34)39-30-15-8-12-26(38-30)25-17-16-23(20-37-25)36(4,5)6;/h7-9,11-18,20H,1-6H3;/q-2;+2.
What are the key properties of CID 162777242?
CID 162777242 has a molecular weight of 749.79 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162777242 is sourced from PubChem (CID 162777242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).