[(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)

C44H34N4Pt — CID 144608371

IUPAC[(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)
SMILES[NH-]C1=C(/c2ccccc2)c2ccc([n-]2)/C(c2ccccc2)=C([NH-])/C=C\C/C(c2ccccc2)=c2/cc/c([n-]2)=C(\c2ccccc2)C/C=C\1.[Pt+4]
InChIInChI=1S/C44H34N4.Pt/c45-37-25-13-23-35(31-15-5-1-6-16-31)39-27-28-40(47-39)36(32-17-7-2-8-18-32)24-14-26-38(46)44(34-21-11-4-12-22-34)42-30-29-41(48-42)43(37)33-19-9-3-10-20-33;/h1-22,25-30,45-46H,23-24H2;/q-4;+4/b25-13-,26-14-,39-35+,40-36+,43-37-,44-38-;
InChIKeyBUYRWHLDVNRORZ-RMHHUWPCSA-N
MW813.86 g/mol
LogP9.23
Rot. Bonds4

About [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)

[(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+) (PubChem CID 144608371) has the molecular formula C44H34N4Pt and a molecular weight of 813.86 g/mol. Its IUPAC name is [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+).

Molecular Properties

Compound Name[(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)
PubChem CID144608371
Molecular FormulaC44H34N4Pt
Molecular Weight813.86 g/mol
Exact Mass813.24
IUPAC Name[(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)
SMILES[NH-]C1=C(/c2ccccc2)c2ccc([n-]2)/C(c2ccccc2)=C([NH-])/C=C\C/C(c2ccccc2)=c2/cc/c([n-]2)=C(\c2ccccc2)C/C=C\1.[Pt+4]
InChIInChI=1S/C44H34N4.Pt/c45-37-25-13-23-35(31-15-5-1-6-16-31)39-27-28-40(47-39)36(32-17-7-2-8-18-32)24-14-26-38(46)44(34-21-11-4-12-22-34)42-30-29-41(48-42)43(37)33-19-9-3-10-20-33;/h1-22,25-30,45-46H,23-24H2;/q-4;+4/b25-13-,26-14-,39-35+,40-36+,43-37-,44-38-;
InChIKeyBUYRWHLDVNRORZ-RMHHUWPCSA-N
XLogP9.23
TPSA75.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.86
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)?
The IUPAC name of [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+) (CID 144608371) is [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+).
What is the SMILES notation for [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)?
The canonical SMILES for [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+) is [NH-]C1=C(/c2ccccc2)c2ccc([n-]2)/C(c2ccccc2)=C([NH-])/C=C\C/C(c2ccccc2)=c2/cc/c([n-]2)=C(\c2ccccc2)C/C=C\1.[Pt+4].
What is the InChIKey of [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)?
The InChIKey is BUYRWHLDVNRORZ-RMHHUWPCSA-N. The full InChI is InChI=1S/C44H34N4.Pt/c45-37-25-13-23-35(31-15-5-1-6-16-31)39-27-28-40(47-39)36(32-17-7-2-8-18-32)24-14-26-38(46)44(34-21-11-4-12-22-34)42-30-29-41(48-42)43(37)33-19-9-3-10-20-33;/h1-22,25-30,45-46H,23-24H2;/q-4;+4/b25-13-,26-14-,39-35+,40-36+,43-37-,44-38-;.
What are the key properties of [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+)?
[(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+) has a molecular weight of 813.86 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z,7E,11E,14Z,16Z)-16-azanidyl-2,7,12,17-tetraphenyl-21,22-diazanidatricyclo[16.2.1.18,11]docosa-1(20),2,4,7,9,11,14,16,18-nonaen-3-yl]azanide;platinum(4+) is sourced from PubChem (CID 144608371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).