CID 164721112

C34H18N2O2Pt — CID 164721112

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(ccc4cccnc43)c3oc4ccccc4c23)cccc1-c1cc2ccccc2cn1
InChIInChI=1S/C34H18N2O2.Pt/c1-2-8-24-20-36-29(18-22(24)7-1)23-9-5-11-25(17-23)37-31-19-28-26(15-14-21-10-6-16-35-33(21)28)34-32(31)27-12-3-4-13-30(27)38-34;/h1-16,18,20H;/q-2;+2
InChIKeyRXTCWXIVDXHKAD-UHFFFAOYSA-N
MW681.61 g/mol
LogP8.89
Rot. Bonds3

About CID 164721112

CID 164721112 (PubChem CID 164721112) has the molecular formula C34H18N2O2Pt and a molecular weight of 681.61 g/mol.

Molecular Properties

Compound NameCID 164721112
PubChem CID164721112
Molecular FormulaC34H18N2O2Pt
Molecular Weight681.61 g/mol
Exact Mass681.10
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(ccc4cccnc43)c3oc4ccccc4c23)cccc1-c1cc2ccccc2cn1
InChIInChI=1S/C34H18N2O2.Pt/c1-2-8-24-20-36-29(18-22(24)7-1)23-9-5-11-25(17-23)37-31-19-28-26(15-14-21-10-6-16-35-33(21)28)34-32(31)27-12-3-4-13-30(27)38-34;/h1-16,18,20H;/q-2;+2
InChIKeyRXTCWXIVDXHKAD-UHFFFAOYSA-N
XLogP8.89
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.61
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 164721118
CID 164721118
platinum(2+);3-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-2-id-1-yl]isoquinoline
CID 153428922
11-[3-[5-(trideuteriomethyl)-2-pyridinyl]phenoxy]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14(19),15,17,20-decaene
CID 158805068
11-[3-[4-methyl-5-(trideuteriomethyl)-2-pyridinyl]phenoxy]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14(19),15,17,20-decaene
CID 158805069
11-(3-pyridin-2-ylphenoxy)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene
CID 158397199
10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168745979
14-[3-[6-(1,10-phenanthrolin-4-yl)isoquinolin-3-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146408755
1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 153428959
1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
CID 171420134
CID 164721141
CID 164721141
17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 138661052
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;1-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]isoquinoline;3-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]isoquinoline;6-(4-tert-butyl-2-pyridinyl)-8-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-7H-quinolin-7-ide;2-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-naphthalen-3-id-2-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;pentakis(platinum(2+))
CID 158430680

Frequently Asked Questions

What is the IUPAC name of CID 164721112?
The IUPAC name of CID 164721112 (CID 164721112) is not available.
What is the SMILES notation for CID 164721112?
The canonical SMILES for CID 164721112 is [Pt+2].[c-]1c(Oc2[c-]c3c(ccc4cccnc43)c3oc4ccccc4c23)cccc1-c1cc2ccccc2cn1.
What is the InChIKey of CID 164721112?
The InChIKey is RXTCWXIVDXHKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2O2.Pt/c1-2-8-24-20-36-29(18-22(24)7-1)23-9-5-11-25(17-23)37-31-19-28-26(15-14-21-10-6-16-35-33(21)28)34-32(31)27-12-3-4-13-30(27)38-34;/h1-16,18,20H;/q-2;+2.
What are the key properties of CID 164721112?
CID 164721112 has a molecular weight of 681.61 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164721112 is sourced from PubChem (CID 164721112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).