2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C46H33N4OPt- — CID 147470155

IUPAC2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESOc1ccccc1-c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]c(N(c3ccccn3)c3ccccc3-c3ccccc3)ccc2)n1.[Pt]
InChIInChI=1S/C46H33N4O.Pt/c51-45-28-13-11-26-41(45)43-33-39(49(36-20-6-2-7-21-36)37-22-8-3-9-23-37)32-42(48-43)35-19-16-24-38(31-35)50(46-29-14-15-30-47-46)44-27-12-10-25-40(44)34-17-4-1-5-18-34;/h1-30,32-33,51H;/q-1;
InChIKeyALYTXIWFTWFIOT-UHFFFAOYSA-N
MW852.88 g/mol
LogP11.92
Rot. Bonds9

About 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 147470155) has the molecular formula C46H33N4OPt- and a molecular weight of 852.88 g/mol. Its IUPAC name is 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
PubChem CID147470155
Molecular FormulaC46H33N4OPt-
Molecular Weight852.88 g/mol
Exact Mass852.23
IUPAC Name2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
SMILESOc1ccccc1-c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]c(N(c3ccccn3)c3ccccc3-c3ccccc3)ccc2)n1.[Pt]
InChIInChI=1S/C46H33N4O.Pt/c51-45-28-13-11-26-41(45)43-33-39(49(36-20-6-2-7-21-36)37-22-8-3-9-23-37)32-42(48-43)35-19-16-24-38(31-35)50(46-29-14-15-30-47-46)44-27-12-10-25-40(44)34-17-4-1-5-18-34;/h1-30,32-33,51H;/q-1;
InChIKeyALYTXIWFTWFIOT-UHFFFAOYSA-N
XLogP11.92
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.88
LogP ≤ 511.92
H-Bond Donors ≤ 51
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 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 147470155) is 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is Oc1ccccc1-c1cc(N(c2ccccc2)c2ccccc2)cc(-c2[c-]c(N(c3ccccn3)c3ccccc3-c3ccccc3)ccc2)n1.[Pt].
What is the InChIKey of 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is ALYTXIWFTWFIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N4O.Pt/c51-45-28-13-11-26-41(45)43-33-39(49(36-20-6-2-7-21-36)37-22-8-3-9-23-37)32-42(48-43)35-19-16-24-38(31-35)50(46-29-14-15-30-47-46)44-27-12-10-25-40(44)34-17-4-1-5-18-34;/h1-30,32-33,51H;/q-1;.
What are the key properties of 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?
2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 852.88 g/mol, XLogP of 11.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-phenylanilino)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 147470155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).