CID 164703902

C44H32N4OPt — CID 164703902

IUPAC—
SMILESCc1cc(C)c(-c2cn3c4ccccc4c4ccc(Oc5[c-]c6c(cc5)c5cccc7c5n6-c5ncccc5C7(C)C)[c-]c4c3n2)c(C)c1.[Pt+2]
InChIInChI=1S/C44H32N4O.Pt/c1-25-20-26(2)40(27(3)21-25)37-24-47-38-14-7-6-10-31(38)30-17-15-28(22-34(30)42(47)46-37)49-29-16-18-32-33-11-8-12-35-41(33)48(39(32)23-29)43-36(44(35,4)5)13-9-19-45-43;/h6-21,24H,1-5H3;/q-2;+2
InChIKeyRPNHVRVKHVMQRY-UHFFFAOYSA-N
MW827.85 g/mol
LogP10.75
Rot. Bonds3

About CID 164703902

CID 164703902 (PubChem CID 164703902) has the molecular formula C44H32N4OPt and a molecular weight of 827.85 g/mol.

Molecular Properties

Compound NameCID 164703902
PubChem CID164703902
Molecular FormulaC44H32N4OPt
Molecular Weight827.85 g/mol
Exact Mass827.22
IUPAC Name—
SMILESCc1cc(C)c(-c2cn3c4ccccc4c4ccc(Oc5[c-]c6c(cc5)c5cccc7c5n6-c5ncccc5C7(C)C)[c-]c4c3n2)c(C)c1.[Pt+2]
InChIInChI=1S/C44H32N4O.Pt/c1-25-20-26(2)40(27(3)21-25)37-24-47-38-14-7-6-10-31(38)30-17-15-28(22-34(30)42(47)46-37)49-29-16-18-32-33-11-8-12-35-41(33)48(39(32)23-29)43-36(44(35,4)5)13-9-19-45-43;/h6-21,24H,1-5H3;/q-2;+2
InChIKeyRPNHVRVKHVMQRY-UHFFFAOYSA-N
XLogP10.75
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.85
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 164704066
CID 164704066
platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164703962
platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164704087
CID 164704296
CID 164704296
CID 164704242
CID 164704242
CID 164703933
CID 164703933
CID 164703888
CID 164703888
CID 164703843
CID 164703843
CID 164704143
CID 164704143
CID 164703913
CID 164703913
CID 164703835
CID 164703835
CID 164704097
CID 164704097

Frequently Asked Questions

What is the IUPAC name of CID 164703902?
The IUPAC name of CID 164703902 (CID 164703902) is not available.
What is the SMILES notation for CID 164703902?
The canonical SMILES for CID 164703902 is Cc1cc(C)c(-c2cn3c4ccccc4c4ccc(Oc5[c-]c6c(cc5)c5cccc7c5n6-c5ncccc5C7(C)C)[c-]c4c3n2)c(C)c1.[Pt+2].
What is the InChIKey of CID 164703902?
The InChIKey is RPNHVRVKHVMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4O.Pt/c1-25-20-26(2)40(27(3)21-25)37-24-47-38-14-7-6-10-31(38)30-17-15-28(22-34(30)42(47)46-37)49-29-16-18-32-33-11-8-12-35-41(33)48(39(32)23-29)43-36(44(35,4)5)13-9-19-45-43;/h6-21,24H,1-5H3;/q-2;+2.
What are the key properties of CID 164703902?
CID 164703902 has a molecular weight of 827.85 g/mol, XLogP of 10.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164703902 is sourced from PubChem (CID 164703902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).