3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)

C68H45N5Pt+2 — CID 176781547

IUPAC3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)
SMILES[Pt+4].[c-]1c(N(c2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)c2ccccc2)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C68H45N5.Pt/c1-6-24-50(25-7-1)59-38-22-39-60(51-26-8-2-9-27-51)67(59)71-48-69(63-42-16-18-44-65(63)71)55-34-20-36-57(46-55)73(54-32-14-5-15-33-54)58-37-21-35-56(47-58)70-49-72(66-45-19-17-43-64(66)70)68-61(52-28-10-3-11-29-52)40-23-41-62(68)53-30-12-4-13-31-53;/h1-45H;/q-2;+4
InChIKeyYZTJYMPFLYSQAM-UHFFFAOYSA-N
MW1127.22 g/mol
LogP15.46
Rot. Bonds11

About 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)

3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+) (PubChem CID 176781547) has the molecular formula C68H45N5Pt+2 and a molecular weight of 1127.22 g/mol. Its IUPAC name is 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+).

Molecular Properties

Compound Name3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)
PubChem CID176781547
Molecular FormulaC68H45N5Pt+2
Molecular Weight1127.22 g/mol
Exact Mass1126.33
IUPAC Name3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)
SMILES[Pt+4].[c-]1c(N(c2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)c2ccccc2)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C68H45N5.Pt/c1-6-24-50(25-7-1)59-38-22-39-60(51-26-8-2-9-27-51)67(59)71-48-69(63-42-16-18-44-65(63)71)55-34-20-36-57(46-55)73(54-32-14-5-15-33-54)58-37-21-35-56(47-58)70-49-72(66-45-19-17-43-64(66)70)68-61(52-28-10-3-11-29-52)40-23-41-62(68)53-30-12-4-13-31-53;/h1-45H;/q-2;+4
InChIKeyYZTJYMPFLYSQAM-UHFFFAOYSA-N
XLogP15.46
TPSA20.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.22
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-diphenylphenyl)-3-[3-[3-[6-(4-phenylphenyl)pyrimidin-4-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-ide;platinum
CID 154594807
3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 170539575
3-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2-phenyl-[1,3,2]oxazaborolo[4,5-b]pyridine;platinum
CID 156623021
2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)
CID 168730623
15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum
CID 171747087
3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum
CID 162460833
N-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-triphenylsilyl-1H-carbazol-1-id-2-amine;platinum
CID 171057297
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171610808
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[3-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 176754198

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)?
The IUPAC name of 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+) (CID 176781547) is 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+).
What is the SMILES notation for 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)?
The canonical SMILES for 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+) is [Pt+4].[c-]1c(N(c2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)c2ccccc2)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21.
What is the InChIKey of 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)?
The InChIKey is YZTJYMPFLYSQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N5.Pt/c1-6-24-50(25-7-1)59-38-22-39-60(51-26-8-2-9-27-51)67(59)71-48-69(63-42-16-18-44-65(63)71)55-34-20-36-57(46-55)73(54-32-14-5-15-33-54)58-37-21-35-56(47-58)70-49-72(66-45-19-17-43-64(66)70)68-61(52-28-10-3-11-29-52)40-23-41-62(68)53-30-12-4-13-31-53;/h1-45H;/q-2;+4.
What are the key properties of 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+)?
3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+) has a molecular weight of 1127.22 g/mol, XLogP of 15.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(4+) is sourced from PubChem (CID 176781547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).