CID 164704296

C40H25N5OPt — CID 164704296

IUPAC—
SMILESCc1cc(C)c(-c2cn3c(n2)c2[c-]c(Oc4[c-]c5c(cc4)c4cccc6c7cccnc7n5c46)ccc2c2cccnc23)c(C)c1.[Pt+2]
InChIInChI=1S/C40H25N5O.Pt/c1-22-17-23(2)36(24(3)18-22)34-21-44-38-31(9-5-15-41-38)27-13-11-25(19-33(27)40(44)43-34)46-26-12-14-28-29-7-4-8-30-32-10-6-16-42-39(32)45(37(29)30)35(28)20-26;/h4-18,21H,1-3H3;/q-2;+2
InChIKeyNZDPZCNQYLWICG-UHFFFAOYSA-N
MW786.75 g/mol
LogP9.56
Rot. Bonds3

About CID 164704296

CID 164704296 (PubChem CID 164704296) has the molecular formula C40H25N5OPt and a molecular weight of 786.75 g/mol.

Molecular Properties

Compound NameCID 164704296
PubChem CID164704296
Molecular FormulaC40H25N5OPt
Molecular Weight786.75 g/mol
Exact Mass786.17
IUPAC Name—
SMILESCc1cc(C)c(-c2cn3c(n2)c2[c-]c(Oc4[c-]c5c(cc4)c4cccc6c7cccnc7n5c46)ccc2c2cccnc23)c(C)c1.[Pt+2]
InChIInChI=1S/C40H25N5O.Pt/c1-22-17-23(2)36(24(3)18-22)34-21-44-38-31(9-5-15-41-38)27-13-11-25(19-33(27)40(44)43-34)46-26-12-14-28-29-7-4-8-30-32-10-6-16-42-39(32)45(37(29)30)35(28)20-26;/h4-18,21H,1-3H3;/q-2;+2
InChIKeyNZDPZCNQYLWICG-UHFFFAOYSA-N
XLogP9.56
TPSA56.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.75
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 164704242
CID 164704242
CID 164703913
CID 164703913
CID 164703843
CID 164703843
CID 164703888
CID 164703888
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
CID 164704097
CID 164704097
CID 164704143
CID 164704143
CID 164703902
CID 164703902
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 164703835
CID 164703835
CID 164704201
CID 164704201
CID 163791617
CID 163791617

Frequently Asked Questions

What is the IUPAC name of CID 164704296?
The IUPAC name of CID 164704296 (CID 164704296) is not available.
What is the SMILES notation for CID 164704296?
The canonical SMILES for CID 164704296 is Cc1cc(C)c(-c2cn3c(n2)c2[c-]c(Oc4[c-]c5c(cc4)c4cccc6c7cccnc7n5c46)ccc2c2cccnc23)c(C)c1.[Pt+2].
What is the InChIKey of CID 164704296?
The InChIKey is NZDPZCNQYLWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O.Pt/c1-22-17-23(2)36(24(3)18-22)34-21-44-38-31(9-5-15-41-38)27-13-11-25(19-33(27)40(44)43-34)46-26-12-14-28-29-7-4-8-30-32-10-6-16-42-39(32)45(37(29)30)35(28)20-26;/h4-18,21H,1-3H3;/q-2;+2.
What are the key properties of CID 164704296?
CID 164704296 has a molecular weight of 786.75 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164704296 is sourced from PubChem (CID 164704296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).