1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum

C38H28N6Pt — CID 140606028

IUPAC1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum
SMILES[Pt].c1ccc(N(c2ccccc2)c2ccc(N(c3cccc(-c4ccccn4)n3)c3cccc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C38H28N6.Pt/c1-3-13-29(14-4-1)43(30-15-5-2-6-16-30)31-23-25-32(26-24-31)44(37-21-11-19-35(41-37)33-17-7-9-27-39-33)38-22-12-20-36(42-38)34-18-8-10-28-40-34;/h1-28H;
InChIKeyMFIXXWQAXFGMBP-UHFFFAOYSA-N
MW763.76 g/mol
LogP9.54
Rot. Bonds8

About 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum

1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum (PubChem CID 140606028) has the molecular formula C38H28N6Pt and a molecular weight of 763.76 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum.

Molecular Properties

Compound Name1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum
PubChem CID140606028
Molecular FormulaC38H28N6Pt
Molecular Weight763.76 g/mol
Exact Mass763.20
IUPAC Name1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum
SMILES[Pt].c1ccc(N(c2ccccc2)c2ccc(N(c3cccc(-c4ccccn4)n3)c3cccc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C38H28N6.Pt/c1-3-13-29(14-4-1)43(30-15-5-2-6-16-30)31-23-25-32(26-24-31)44(37-21-11-19-35(41-37)33-17-7-9-27-39-33)38-22-12-20-36(42-38)34-18-8-10-28-40-34;/h1-28H;
InChIKeyMFIXXWQAXFGMBP-UHFFFAOYSA-N
XLogP9.54
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.76
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum?
The IUPAC name of 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum (CID 140606028) is 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum.
What is the SMILES notation for 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum?
The canonical SMILES for 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum is [Pt].c1ccc(N(c2ccccc2)c2ccc(N(c3cccc(-c4ccccn4)n3)c3cccc(-c4ccccn4)n3)cc2)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum?
The InChIKey is MFIXXWQAXFGMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N6.Pt/c1-3-13-29(14-4-1)43(30-15-5-2-6-16-30)31-23-25-32(26-24-31)44(37-21-11-19-35(41-37)33-17-7-9-27-39-33)38-22-12-20-36(42-38)34-18-8-10-28-40-34;/h1-28H;.
What are the key properties of 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum?
1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum has a molecular weight of 763.76 g/mol, XLogP of 9.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-4-N,4-N-bis(6-pyridin-2-yl-2-pyridinyl)benzene-1,4-diamine;platinum is sourced from PubChem (CID 140606028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).