[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum

C43H32N4PtS — CID 162499995

IUPAC[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(N(c3cccc(Sc4ccccn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C43H32N4S.Pt/c1-45-31-46(41-26-9-8-25-40(41)45)34-19-12-20-35(29-34)47(36-21-13-22-37(30-36)48-42-27-10-11-28-44-42)43-38(32-15-4-2-5-16-32)23-14-24-39(43)33-17-6-3-7-18-33;/h2-30H,1H3;
InChIKeyCUNWCHVHZUVBEG-UHFFFAOYSA-N
MW831.90 g/mol
LogP11.40
Rot. Bonds8

About [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 162499995) has the molecular formula C43H32N4PtS and a molecular weight of 831.90 g/mol. Its IUPAC name is [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID162499995
Molecular FormulaC43H32N4PtS
Molecular Weight831.90 g/mol
Exact Mass831.20
IUPAC Name[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(N(c3cccc(Sc4ccccn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C43H32N4S.Pt/c1-45-31-46(41-26-9-8-25-40(41)45)34-19-12-20-35(29-34)47(36-21-13-22-37(30-36)48-42-27-10-11-28-44-42)43-38(32-15-4-2-5-16-32)23-14-24-39(43)33-17-6-3-7-18-33;/h2-30H,1H3;
InChIKeyCUNWCHVHZUVBEG-UHFFFAOYSA-N
XLogP11.40
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.90
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-[N-(2,6-diphenylphenyl)-3-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500086
[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499989
[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500194
[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500190
5-tert-butyl-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N,3-N-bis[2-phenyl-6-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 176815097
5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(3-phenylphenyl)phenyl]-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N-(2,6-diphenylphenyl)benzene-1,3-diamine
CID 176815115
2-(3,5-ditert-butylphenyl)-N-[3-[3-[3-(N-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]anilino)-5-phenylphenyl]sulfanylphenyl]sulfanyl-5-phenylphenyl]-N,6-diphenylaniline
CID 170902222
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylphenyl)boranyl]phenyl]-3-(4-methylphenyl)benzimidazol-2-ylidene]platinum
CID 162500130
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 171457249

Frequently Asked Questions

What is the IUPAC name of [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 162499995) is [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cn1c(=[Pt])n(-c2cccc(N(c3cccc(Sc4ccccn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is CUNWCHVHZUVBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4S.Pt/c1-45-31-46(41-26-9-8-25-40(41)45)34-19-12-20-35(29-34)47(36-21-13-22-37(30-36)48-42-27-10-11-28-44-42)43-38(32-15-4-2-5-16-32)23-14-24-39(43)33-17-6-3-7-18-33;/h2-30H,1H3;.
What are the key properties of [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 831.90 g/mol, XLogP of 11.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 162499995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).