CID 169309414

C32H18N7O2Pt- — CID 169309414

IUPAC—
SMILESOc1ccccc1-c1cccc(Oc2[c-]c3c(cc2)nc2n3c3nc4ccccc4n3c3nc4ccccc4n23)n1.[Pt]
InChIInChI=1S/C32H18N7O2.Pt/c40-28-14-6-1-8-20(28)21-11-7-15-29(33-21)41-19-16-17-24-27(18-19)39-31-35-23-10-3-5-13-26(23)37(31)30-34-22-9-2-4-12-25(22)38(30)32(39)36-24;/h1-17,40H;/q-1;
InChIKeyVSIHIOPUSCYVMV-UHFFFAOYSA-N
MW727.62 g/mol
LogP6.45
Rot. Bonds3

About CID 169309414

CID 169309414 (PubChem CID 169309414) has the molecular formula C32H18N7O2Pt- and a molecular weight of 727.62 g/mol.

Molecular Properties

Compound NameCID 169309414
PubChem CID169309414
Molecular FormulaC32H18N7O2Pt-
Molecular Weight727.62 g/mol
Exact Mass727.12
IUPAC Name—
SMILESOc1ccccc1-c1cccc(Oc2[c-]c3c(cc2)nc2n3c3nc4ccccc4n3c3nc4ccccc4n23)n1.[Pt]
InChIInChI=1S/C32H18N7O2.Pt/c40-28-14-6-1-8-20(28)21-11-7-15-29(33-21)41-19-16-17-24-27(18-19)39-31-35-23-10-3-5-13-26(23)37(31)30-34-22-9-2-4-12-25(22)38(30)32(39)36-24;/h1-17,40H;/q-1;
InChIKeyVSIHIOPUSCYVMV-UHFFFAOYSA-N
XLogP6.45
TPSA94.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.62
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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2-(6-fluoro-2-pyridinyl)phenol
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platinum;2-[3-(9-pyridin-2-ylpyrido[2,3-b]indol-2-yl)oxybenzene-2-id-1-yl]phenol
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platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene
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CID 176606103
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CID 164823457
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Frequently Asked Questions

What is the IUPAC name of CID 169309414?
The IUPAC name of CID 169309414 (CID 169309414) is not available.
What is the SMILES notation for CID 169309414?
The canonical SMILES for CID 169309414 is Oc1ccccc1-c1cccc(Oc2[c-]c3c(cc2)nc2n3c3nc4ccccc4n3c3nc4ccccc4n23)n1.[Pt].
What is the InChIKey of CID 169309414?
The InChIKey is VSIHIOPUSCYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N7O2.Pt/c40-28-14-6-1-8-20(28)21-11-7-15-29(33-21)41-19-16-17-24-27(18-19)39-31-35-23-10-3-5-13-26(23)37(31)30-34-22-9-2-4-12-25(22)38(30)32(39)36-24;/h1-17,40H;/q-1;.
What are the key properties of CID 169309414?
CID 169309414 has a molecular weight of 727.62 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169309414 is sourced from PubChem (CID 169309414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).