2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum

C30H27N5OPt — CID 158641122

IUPAC2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(N(C)C)ccn5)c4c3)c2)n1.[Pt]
InChIInChI=1S/C30H27N5O.Pt/c1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;/h5-19H,1-4H3;
InChIKeyIAJZMJDBTIXUMW-UHFFFAOYSA-N
MW668.66 g/mol
LogP6.84
Rot. Bonds5

About 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum

2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum (PubChem CID 158641122) has the molecular formula C30H27N5OPt and a molecular weight of 668.66 g/mol. Its IUPAC name is 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum.

Molecular Properties

Compound Name2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
PubChem CID158641122
Molecular FormulaC30H27N5OPt
Molecular Weight668.66 g/mol
Exact Mass668.19
IUPAC Name2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
SMILESCc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(N(C)C)ccn5)c4c3)c2)n1.[Pt]
InChIInChI=1S/C30H27N5O.Pt/c1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;/h5-19H,1-4H3;
InChIKeyIAJZMJDBTIXUMW-UHFFFAOYSA-N
XLogP6.84
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.66
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanophenoxy]-9-pyridin-2-ylcarbazole
CID 155622974
N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
CID 157068270
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
CID 158391077
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
CID 159758959
N,N-dimethyl-2-[5-phenyl-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]indolo[3,2-b]indol-10-yl]pyridin-4-amine
CID 169031507
6-tert-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-[1,8-di(propan-2-yl)carbazol-9-yl]-2-pyridinyl]carbazole
CID 171769241
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3-methyl-4-pyridinyl]-1,8-diethylcarbazole
CID 171769142
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole
CID 171769468
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
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
1,8-ditert-butyl-9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-methylphenoxy]-6-methylcarbazol-9-yl]-4-pyridinyl]carbazole
CID 171769413

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum?
The IUPAC name of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum (CID 158641122) is 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum.
What is the SMILES notation for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum?
The canonical SMILES for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum is Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(N(C)C)ccn5)c4c3)c2)n1.[Pt].
What is the InChIKey of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum?
The InChIKey is IAJZMJDBTIXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O.Pt/c1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;/h5-19H,1-4H3;.
What are the key properties of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum?
2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum has a molecular weight of 668.66 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum is sourced from PubChem (CID 158641122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).