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

C44H34N4OPt — CID 162499989

IUPAC[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(Oc2cccc(N(c3cccc(-n4c(=[Pt])n(C)c5ccccc54)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c1
InChIInChI=1S/C44H34N4O.Pt/c1-32-26-27-45-43(28-32)49-38-21-12-20-37(30-38)48(36-19-11-18-35(29-36)47-31-46(2)41-24-9-10-25-42(41)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;/h3-30H,1-2H3;
InChIKeySLOKFNNWDWGPRU-UHFFFAOYSA-N
MW829.86 g/mol
LogP11.35
Rot. Bonds8

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

[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 162499989) has the molecular formula C44H34N4OPt and a molecular weight of 829.86 g/mol. Its IUPAC name is [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID162499989
Molecular FormulaC44H34N4OPt
Molecular Weight829.86 g/mol
Exact Mass829.24
IUPAC Name[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(Oc2cccc(N(c3cccc(-n4c(=[Pt])n(C)c5ccccc54)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c1
InChIInChI=1S/C44H34N4O.Pt/c1-32-26-27-45-43(28-32)49-38-21-12-20-37(30-38)48(36-19-11-18-35(29-36)47-31-46(2)41-24-9-10-25-42(41)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;/h3-30H,1-2H3;
InChIKeySLOKFNNWDWGPRU-UHFFFAOYSA-N
XLogP11.35
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.86
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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-(1,3,5-triazin-2-yloxy)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500190
[1-[3-(N-(2,6-diphenylphenyl)-3-pyridin-2-ylsulfanylanilino)phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499995
[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169066619
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030749
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
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine
CID 155769610
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
N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine
CID 153415600

Frequently Asked Questions

What is the IUPAC name of [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 162499989) is [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cc1ccnc(Oc2cccc(N(c3cccc(-n4c(=[Pt])n(C)c5ccccc54)c3)c3c(-c4ccccc4)cccc3-c3ccccc3)c2)c1.
What is the InChIKey of [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is SLOKFNNWDWGPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4O.Pt/c1-32-26-27-45-43(28-32)49-38-21-12-20-37(30-38)48(36-19-11-18-35(29-36)47-31-46(2)41-24-9-10-25-42(41)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;/h3-30H,1-2H3;.
What are the key properties of [1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 829.86 g/mol, XLogP of 11.35, 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-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 162499989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).