CID 162118924

C74H54N8Pt — CID 162118924

IUPAC—
SMILESCC1(C)c2cc3c4ccccc4n(-c4ccccn4)c3[c-]c2N(c2[c-]c(-c3ccccn3)ccc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3ccccn3)c2)c2cc3c(cc21)c1ccccc1n3-c1ccccn1.[Pt+2]
InChIInChI=1S/C37H28N4.C37H26N4.Pt/c2*1-37(2)29-15-4-6-18-33(29)40(26-13-11-12-25(22-26)31-16-7-9-20-38-31)35-24-34-28(23-30(35)37)27-14-3-5-17-32(27)41(34)36-19-8-10-21-39-36;/h3-24H,1-2H3;3-21,23H,1-2H3;/q;-2;+2
InChIKeyBXQZHDWLNQODJZ-UHFFFAOYSA-N
MW1250.38 g/mol
LogP18.30
Rot. Bonds6

About CID 162118924

CID 162118924 (PubChem CID 162118924) has the molecular formula C74H54N8Pt and a molecular weight of 1250.38 g/mol.

Molecular Properties

Compound NameCID 162118924
PubChem CID162118924
Molecular FormulaC74H54N8Pt
Molecular Weight1250.38 g/mol
Exact Mass1249.41
IUPAC Name—
SMILESCC1(C)c2cc3c4ccccc4n(-c4ccccn4)c3[c-]c2N(c2[c-]c(-c3ccccn3)ccc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3ccccn3)c2)c2cc3c(cc21)c1ccccc1n3-c1ccccn1.[Pt+2]
InChIInChI=1S/C37H28N4.C37H26N4.Pt/c2*1-37(2)29-15-4-6-18-33(29)40(26-13-11-12-25(22-26)31-16-7-9-20-38-31)35-24-34-28(23-30(35)37)27-14-3-5-17-32(27)41(34)36-19-8-10-21-39-36;/h3-24H,1-2H3;3-21,23H,1-2H3;/q;-2;+2
InChIKeyBXQZHDWLNQODJZ-UHFFFAOYSA-N
XLogP18.30
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001250.38
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162118924?
The IUPAC name of CID 162118924 (CID 162118924) is not available.
What is the SMILES notation for CID 162118924?
The canonical SMILES for CID 162118924 is CC1(C)c2cc3c4ccccc4n(-c4ccccn4)c3[c-]c2N(c2[c-]c(-c3ccccn3)ccc2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3ccccn3)c2)c2cc3c(cc21)c1ccccc1n3-c1ccccn1.[Pt+2].
What is the InChIKey of CID 162118924?
The InChIKey is BXQZHDWLNQODJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4.C37H26N4.Pt/c2*1-37(2)29-15-4-6-18-33(29)40(26-13-11-12-25(22-26)31-16-7-9-20-38-31)35-24-34-28(23-30(35)37)27-14-3-5-17-32(27)41(34)36-19-8-10-21-39-36;/h3-24H,1-2H3;3-21,23H,1-2H3;/q;-2;+2.
What are the key properties of CID 162118924?
CID 162118924 has a molecular weight of 1250.38 g/mol, XLogP of 18.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162118924 is sourced from PubChem (CID 162118924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).