N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)

C42H28N4Pt — CID 168733853

IUPACN-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)
SMILESCc1cccc(C)c1N(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2nccc3c4cccc5c6ccccc6n(c23)c54)ccc1.[Pt+2]
InChIInChI=1S/C42H28N4.Pt/c1-27-11-7-12-28(2)40(27)45(31-15-8-13-29(25-31)37-20-5-6-23-43-37)32-16-9-14-30(26-32)39-42-36(22-24-44-39)35-19-10-18-34-33-17-3-4-21-38(33)46(42)41(34)35;/h3-24H,1-2H3;/q-2;+2
InChIKeyDDPWPHRLEMKSAV-UHFFFAOYSA-N
MW783.79 g/mol
LogP10.65
Rot. Bonds5

About N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)

N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+) (PubChem CID 168733853) has the molecular formula C42H28N4Pt and a molecular weight of 783.79 g/mol. Its IUPAC name is N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+).

Molecular Properties

Compound NameN-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)
PubChem CID168733853
Molecular FormulaC42H28N4Pt
Molecular Weight783.79 g/mol
Exact Mass783.20
IUPAC NameN-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)
SMILESCc1cccc(C)c1N(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2nccc3c4cccc5c6ccccc6n(c23)c54)ccc1.[Pt+2]
InChIInChI=1S/C42H28N4.Pt/c1-27-11-7-12-28(2)40(27)45(31-15-8-13-29(25-31)37-20-5-6-23-43-37)32-16-9-14-30(26-32)39-42-36(22-24-44-39)35-19-10-18-34-33-17-3-4-21-38(33)46(42)41(34)35;/h3-24H,1-2H3;/q-2;+2
InChIKeyDDPWPHRLEMKSAV-UHFFFAOYSA-N
XLogP10.65
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.79
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+) with MolForge

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Related Compounds

CID 161022211
CID 161022211
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)
CID 140881771
1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
CID 171769510
[4-[bis(3-pyridin-2-ylbenzene-2-id-1-yl)amino]phenyl]-triphenylazanium;N-(4-carbazol-9-ylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;N,3-diphenyl-N-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-amine;hexakis(platinum(2+));2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;2,4,6-trimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline
CID 158436843
methane;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
CID 158290234
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
CID 164796133
CID 164796133
CID 164795877
CID 164795877
13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 158597154
CID 177271340
CID 177271340
platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 154595157
N-(4-carbazol-9-ylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3,5-ditert-butyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;1-N,1-N-diphenyl-4-N,4-N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-1,4-diamine;N,4-diphenyl-N-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridin-2-amine;platinum;tetrakis(platinum(2+));pyridine;2-pyridin-2-yloxy-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridine;2,4,6-trimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)aniline
CID 158819078

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)?
The IUPAC name of N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+) (CID 168733853) is N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+).
What is the SMILES notation for N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)?
The canonical SMILES for N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+) is Cc1cccc(C)c1N(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-c2nccc3c4cccc5c6ccccc6n(c23)c54)ccc1.[Pt+2].
What is the InChIKey of N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)?
The InChIKey is DDPWPHRLEMKSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4.Pt/c1-27-11-7-12-28(2)40(27)45(31-15-8-13-29(25-31)37-20-5-6-23-43-37)32-16-9-14-30(26-32)39-42-36(22-24-44-39)35-19-10-18-34-33-17-3-4-21-38(33)46(42)41(34)35;/h3-24H,1-2H3;/q-2;+2.
What are the key properties of N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+)?
N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+) has a molecular weight of 783.79 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)benzene-2-id-1-yl]-2,6-dimethyl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)aniline;platinum(2+) is sourced from PubChem (CID 168733853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).