N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum

C37H28N5OPt- — CID 162465205

IUPACN-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5[OH+]N(C([2H])([2H])[2H])c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C37H27N5O.Pt/c1-26-21-22-38-37(23-26)41-33-16-7-6-15-31(33)32-20-19-29(25-36(32)41)40(27-11-4-3-5-12-27)28-13-10-14-30(24-28)42-35-18-9-8-17-34(35)39(2)43-42;/h3-23H,1-2H3;/q-2;/p+1/i1D3,2D3;
InChIKeyMDJVKVUQSXMVAW-TXHXQZCNSA-O
MW759.78 g/mol
LogP8.98
Rot. Bonds7

About N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum

N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum (PubChem CID 162465205) has the molecular formula C37H28N5OPt- and a molecular weight of 759.78 g/mol. Its IUPAC name is N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

Compound NameN-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum
PubChem CID162465205
Molecular FormulaC37H28N5OPt-
Molecular Weight759.78 g/mol
Exact Mass759.23
IUPAC NameN-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5[OH+]N(C([2H])([2H])[2H])c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C37H27N5O.Pt/c1-26-21-22-38-37(23-26)41-33-16-7-6-15-31(33)32-20-19-29(25-36(32)41)40(27-11-4-3-5-12-27)28-13-10-14-30(24-28)42-35-18-9-8-17-34(35)39(2)43-42;/h3-23H,1-2H3;/q-2;/p+1/i1D3,2D3;
InChIKeyMDJVKVUQSXMVAW-TXHXQZCNSA-O
XLogP8.98
TPSA40.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.78
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 162465237
N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382811
[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
CID 162465252
N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382070
[3-(3-tert-butyl-2,1,3-benzoxadiazol-2-ium-1-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
CID 162465179
platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium
CID 162465537
N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 155651161
9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 155652147
9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382907
N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382684
3-tert-butyl-1-[3-[9-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum
CID 162465175
1-[3-[diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]methyl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum
CID 162465541

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum?
The IUPAC name of N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum (CID 162465205) is N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum.
What is the SMILES notation for N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum?
The canonical SMILES for N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum is [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5[OH+]N(C([2H])([2H])[2H])c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum?
The InChIKey is MDJVKVUQSXMVAW-TXHXQZCNSA-O. The full InChI is InChI=1S/C37H27N5O.Pt/c1-26-21-22-38-37(23-26)41-33-16-7-6-15-31(33)32-20-19-29(25-36(32)41)40(27-11-4-3-5-12-27)28-13-10-14-30(24-28)42-35-18-9-8-17-34(35)39(2)43-42;/h3-23H,1-2H3;/q-2;/p+1/i1D3,2D3;.
What are the key properties of N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum?
N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 759.78 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 162465205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).