[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

C41H30N6OPt — CID 162500190

IUPAC[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(N(c3cccc(Oc4ncncn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C41H30N6O.Pt/c1-45-29-46(39-24-9-8-23-38(39)45)32-17-10-18-33(25-32)47(34-19-11-20-35(26-34)48-41-43-27-42-28-44-41)40-36(30-13-4-2-5-14-30)21-12-22-37(40)31-15-6-3-7-16-31;/h2-28H,1H3;
InChIKeyDXIOYIHLAWODSK-UHFFFAOYSA-N
MW817.81 g/mol
LogP9.83
Rot. Bonds8

About [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 162500190) has the molecular formula C41H30N6OPt and a molecular weight of 817.81 g/mol. Its IUPAC name is [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID162500190
Molecular FormulaC41H30N6OPt
Molecular Weight817.81 g/mol
Exact Mass817.21
IUPAC Name[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(N(c3cccc(Oc4ncncn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C41H30N6O.Pt/c1-45-29-46(39-24-9-8-23-38(39)45)32-17-10-18-33(25-32)47(34-19-11-20-35(26-34)48-41-43-27-42-28-44-41)40-36(30-13-4-2-5-14-30)21-12-22-37(40)31-15-6-3-7-16-31;/h2-28H,1H3;
InChIKeyDXIOYIHLAWODSK-UHFFFAOYSA-N
XLogP9.83
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.81
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-(4-methyl-2-pyridinyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500086
[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499995
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
[1-[3-[9-(4-tert-butyl-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167796
N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 171457249
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-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167654
N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine
CID 155769610

Frequently Asked Questions

What is the IUPAC name of [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 162500190) is [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cn1c(=[Pt])n(-c2cccc(N(c3cccc(Oc4ncncn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is DXIOYIHLAWODSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N6O.Pt/c1-45-29-46(39-24-9-8-23-38(39)45)32-17-10-18-33(25-32)47(34-19-11-20-35(26-34)48-41-43-27-42-28-44-41)40-36(30-13-4-2-5-14-30)21-12-22-37(40)31-15-6-3-7-16-31;/h2-28H,1H3;.
What are the key properties of [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 817.81 g/mol, XLogP of 9.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 162500190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).