[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

C47H40N4OPt — CID 162500194

IUPAC[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(N(c3cccc(Oc4cc(C(C)(C)C)ccn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C47H40N4O.Pt/c1-47(2,3)36-28-29-48-45(30-36)52-40-23-14-22-39(32-40)51(38-21-13-20-37(31-38)50-33-49(4)43-26-11-12-27-44(43)50)46-41(34-16-7-5-8-17-34)24-15-25-42(46)35-18-9-6-10-19-35;/h5-32H,1-4H3;
InChIKeyJAGWAQCKMWUIJN-UHFFFAOYSA-N
MW871.94 g/mol
LogP12.34
Rot. Bonds8

About [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 162500194) has the molecular formula C47H40N4OPt and a molecular weight of 871.94 g/mol. Its IUPAC name is [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID162500194
Molecular FormulaC47H40N4OPt
Molecular Weight871.94 g/mol
Exact Mass871.29
IUPAC Name[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(N(c3cccc(Oc4cc(C(C)(C)C)ccn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C47H40N4O.Pt/c1-47(2,3)36-28-29-48-45(30-36)52-40-23-14-22-39(32-40)51(38-21-13-20-37(31-38)50-33-49(4)43-26-11-12-27-44(43)50)46-41(34-16-7-5-8-17-34)24-15-25-42(46)35-18-9-6-10-19-35;/h5-32H,1-4H3;
InChIKeyJAGWAQCKMWUIJN-UHFFFAOYSA-N
XLogP12.34
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.94
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)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-[N-(2,6-diphenylphenyl)-3-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500190
[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
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030749
N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine
CID 155769610
[1-[3-[[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-(2,6-diphenylphenyl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500062
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
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796851
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-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169066594
[1-[3-[[17,25-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15(20),16,18,23,25-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796644

Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 162500194) is [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cn1c(=[Pt])n(-c2cccc(N(c3cccc(Oc4cc(C(C)(C)C)ccn4)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is JAGWAQCKMWUIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N4O.Pt/c1-47(2,3)36-28-29-48-45(30-36)52-40-23-14-22-39(32-40)51(38-21-13-20-37(31-38)50-33-49(4)43-26-11-12-27-44(43)50)46-41(34-16-7-5-8-17-34)24-15-25-42(46)35-18-9-6-10-19-35;/h5-32H,1-4H3;.
What are the key properties of [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 871.94 g/mol, XLogP of 12.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 162500194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).