benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)

C123H95Cl2N7Pt — CID 159870963

IUPACbenzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)
SMILESCc1cc(C)c(N(c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c(-c2ccccc2)c1.Cc1cc(C)c(N(c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c(-c2ccccc2)c1.Cl[Pt]Cl.N#Cc1ccccc1
InChIInChI=1S/2C58H45N3.C7H5N.2ClH.Pt/c2*1-38-28-39(2)58(55(29-38)44-16-6-5-7-17-44)61(51-22-12-20-49(32-51)56-34-53(40(3)36-59-56)47-26-24-42-14-8-10-18-45(42)30-47)52-23-13-21-50(33-52)57-35-54(41(4)37-60-57)48-27-25-43-15-9-11-19-46(43)31-48;8-6-7-4-2-1-3-5-7;;;/h2*5-37H,1-4H3;1-5H;2*1H;/q;;;;;+2/p-2
InChIKeyNSIJCGIGSLNLAP-UHFFFAOYSA-L
MW1937.15 g/mol
LogP34.58
Rot. Bonds16

About benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)

benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline) (PubChem CID 159870963) has the molecular formula C123H95Cl2N7Pt and a molecular weight of 1937.15 g/mol. Its IUPAC name is benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline).

Molecular Properties

Compound Namebenzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)
PubChem CID159870963
Molecular FormulaC123H95Cl2N7Pt
Molecular Weight1937.15 g/mol
Exact Mass1934.67
IUPAC Namebenzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)
SMILESCc1cc(C)c(N(c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c(-c2ccccc2)c1.Cc1cc(C)c(N(c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c(-c2ccccc2)c1.Cl[Pt]Cl.N#Cc1ccccc1
InChIInChI=1S/2C58H45N3.C7H5N.2ClH.Pt/c2*1-38-28-39(2)58(55(29-38)44-16-6-5-7-17-44)61(51-22-12-20-49(32-51)56-34-53(40(3)36-59-56)47-26-24-42-14-8-10-18-45(42)30-47)52-23-13-21-50(33-52)57-35-54(41(4)37-60-57)48-27-25-43-15-9-11-19-46(43)31-48;8-6-7-4-2-1-3-5-7;;;/h2*5-37H,1-4H3;1-5H;2*1H;/q;;;;;+2/p-2
InChIKeyNSIJCGIGSLNLAP-UHFFFAOYSA-L
XLogP34.58
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001937.15
LogP ≤ 534.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
CID 140908506
4-(5-methyl-4-phenyl-2-pyridinyl)benzonitrile
CID 168821635
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine
CID 140908764
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenyl-3-N,3-N-bis(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 177074144
N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
CID 140908668
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
N-naphthalen-2-yl-6-[2-[4-(N-naphthalen-2-ylanilino)phenyl]-3,4,5,6-tetraphenylphenyl]-N-phenylpyridin-3-amine
CID 102222161
4-[4-[4-(4-cyanophenyl)-3-methyl-N-[3-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]anilino]-2-methylphenyl]benzonitrile
CID 122435879
4-N,4-N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-N,4-N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-1-N,1-N-diphenyl-4-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-1,4-diamine;tris(platinum(2+))
CID 161312418

Frequently Asked Questions

What is the IUPAC name of benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)?
The IUPAC name of benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline) (CID 159870963) is benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline).
What is the SMILES notation for benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)?
The canonical SMILES for benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline) is Cc1cc(C)c(N(c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c(-c2ccccc2)c1.Cc1cc(C)c(N(c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c2cccc(-c3cc(-c4ccc5ccccc5c4)c(C)cn3)c2)c(-c2ccccc2)c1.Cl[Pt]Cl.N#Cc1ccccc1.
What is the InChIKey of benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)?
The InChIKey is NSIJCGIGSLNLAP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C58H45N3.C7H5N.2ClH.Pt/c2*1-38-28-39(2)58(55(29-38)44-16-6-5-7-17-44)61(51-22-12-20-49(32-51)56-34-53(40(3)36-59-56)47-26-24-42-14-8-10-18-45(42)30-47)52-23-13-21-50(33-52)57-35-54(41(4)37-60-57)48-27-25-43-15-9-11-19-46(43)31-48;8-6-7-4-2-1-3-5-7;;;/h2*5-37H,1-4H3;1-5H;2*1H;/q;;;;;+2/p-2.
What are the key properties of benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)?
benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline) has a molecular weight of 1937.15 g/mol, XLogP of 34.58, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline) is sourced from PubChem (CID 159870963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).