N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)

C33H23N5Pt — CID 58704192

IUPACN-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(Cc2ccccc2)c2[c-]c(-n3cc4ccccc4n3)ccc2)cccc1-n1cc2ccccc2n1
InChIInChI=1S/C33H23N5.Pt/c1-2-10-25(11-3-1)22-36(28-14-8-16-30(20-28)37-23-26-12-4-6-18-32(26)34-37)29-15-9-17-31(21-29)38-24-27-13-5-7-19-33(27)35-38;/h1-19,23-24H,22H2;/q-2;+2
InChIKeyFVFPLHVNGCBYEW-UHFFFAOYSA-N
MW684.66 g/mol
LogP7.30
Rot. Bonds6

About N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)

N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (PubChem CID 58704192) has the molecular formula C33H23N5Pt and a molecular weight of 684.66 g/mol. Its IUPAC name is N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).

Molecular Properties

Compound NameN-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
PubChem CID58704192
Molecular FormulaC33H23N5Pt
Molecular Weight684.66 g/mol
Exact Mass684.16
IUPAC NameN-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(Cc2ccccc2)c2[c-]c(-n3cc4ccccc4n3)ccc2)cccc1-n1cc2ccccc2n1
InChIInChI=1S/C33H23N5.Pt/c1-2-10-25(11-3-1)22-36(28-14-8-16-30(20-28)37-23-26-12-4-6-18-32(26)34-37)29-15-9-17-31(21-29)38-24-27-13-5-7-19-33(27)35-38;/h1-19,23-24H,22H2;/q-2;+2
InChIKeyFVFPLHVNGCBYEW-UHFFFAOYSA-N
XLogP7.30
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.66
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The IUPAC name of N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (CID 58704192) is N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).
What is the SMILES notation for N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The canonical SMILES for N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is [Pt+2].[c-]1c(N(Cc2ccccc2)c2[c-]c(-n3cc4ccccc4n3)ccc2)cccc1-n1cc2ccccc2n1.
What is the InChIKey of N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The InChIKey is FVFPLHVNGCBYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5.Pt/c1-2-10-25(11-3-1)22-36(28-14-8-16-30(20-28)37-23-26-12-4-6-18-32(26)34-37)29-15-9-17-31(21-29)38-24-27-13-5-7-19-33(27)35-38;/h1-19,23-24H,22H2;/q-2;+2.
What are the key properties of N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) has a molecular weight of 684.66 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-indazol-2-yl-N-(3-indazol-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is sourced from PubChem (CID 58704192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).