[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

C215H160N19O2Pt6+ — CID 158436843

IUPAC[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
SMILESCC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Cc1cc(C)c(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccccc2)cc1N(c1[c-]c(-c2ccccn2)cc(-c2ccccc2)c1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc([N+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[c-]1c(Oc2ccccn2)cccc1-c1[c-]c(Oc2ccccn2)ccc1
InChIInChI=1S/C46H33N4.C40H26N4.C40H27N3.C36H35N3.C31H25N3.C22H14N2O2.6Pt/c1-4-20-41(21-5-1)50(42-22-6-2-7-23-42,43-24-8-3-9-25-43)44-30-28-38(29-31-44)49(39-18-14-16-36(34-39)45-26-10-12-32-47-45)40-19-15-17-37(35-40)46-27-11-13-33-48-46;1-3-19-39-35(15-1)36-16-2-4-20-40(36)44(39)32-23-21-31(22-24-32)43(33-13-9-11-29(27-33)37-17-5-7-25-41-37)34-14-10-12-30(28-34)38-18-6-8-26-42-38;1-4-14-30(15-5-1)32-24-34(39-20-10-12-22-41-39)28-37(26-32)43(36-18-8-3-9-19-36)38-27-33(31-16-6-2-7-17-31)25-35(29-38)40-21-11-13-23-42-40;1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;1-22-18-23(2)31(24(3)19-22)34(27-12-8-10-25(20-27)29-14-4-6-16-32-29)28-13-9-11-26(21-28)30-15-5-7-17-33-30;1-3-13-23-21(11-1)25-19-9-5-7-17(15-19)18-8-6-10-20(16-18)26-22-12-2-4-14-24-22;;;;;;/h1-33H;1-26H;1-27H;7-20,23-25H,1-6H3;4-19H,1-3H3;1-14H;;;;;;/q-1;5*-2;6*+2
InChIKeyWOSMIRZPIFIJHA-UHFFFAOYSA-N
MW4212.24 g/mol
LogP54.97
Rot. Bonds37

About [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

[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 (PubChem CID 158436843) has the molecular formula C215H160N19O2Pt6+ and a molecular weight of 4212.24 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158436843
Molecular FormulaC215H160N19O2Pt6+
Molecular Weight4212.24 g/mol
Exact Mass4209.09
IUPAC Name[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
SMILESCC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Cc1cc(C)c(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccccc2)cc1N(c1[c-]c(-c2ccccn2)cc(-c2ccccc2)c1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc([N+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[c-]1c(Oc2ccccn2)cccc1-c1[c-]c(Oc2ccccn2)ccc1
InChIInChI=1S/C46H33N4.C40H26N4.C40H27N3.C36H35N3.C31H25N3.C22H14N2O2.6Pt/c1-4-20-41(21-5-1)50(42-22-6-2-7-23-42,43-24-8-3-9-25-43)44-30-28-38(29-31-44)49(39-18-14-16-36(34-39)45-26-10-12-32-47-45)40-19-15-17-37(35-40)46-27-11-13-33-48-46;1-3-19-39-35(15-1)36-16-2-4-20-40(36)44(39)32-23-21-31(22-24-32)43(33-13-9-11-29(27-33)37-17-5-7-25-41-37)34-14-10-12-30(28-34)38-18-6-8-26-42-38;1-4-14-30(15-5-1)32-24-34(39-20-10-12-22-41-39)28-37(26-32)43(36-18-8-3-9-19-36)38-27-33(31-16-6-2-7-17-31)25-35(29-38)40-21-11-13-23-42-40;1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;1-22-18-23(2)31(24(3)19-22)34(27-12-8-10-25(20-27)29-14-4-6-16-32-29)28-13-9-11-26(21-28)30-15-5-7-17-33-30;1-3-13-23-21(11-1)25-19-9-5-7-17(15-19)18-8-6-10-20(16-18)26-22-12-2-4-14-24-22;;;;;;/h1-33H;1-26H;1-27H;7-20,23-25H,1-6H3;4-19H,1-3H3;1-14H;;;;;;/q-1;5*-2;6*+2
InChIKeyWOSMIRZPIFIJHA-UHFFFAOYSA-N
XLogP54.97
TPSA194.27 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms242
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004212.24
LogP ≤ 554.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1cc(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)cc(C(C)(C)C)c1.Cc1cc(C)c(N(c2[c-]c(-c3ccccn3)ccc2)c2[c-]c(-c3ccccn3)ccc2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cc(-c2ccccc2)cc1N(c1[c-]c(-c2ccccn2)cc(-c2ccccc2)c1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccc([N+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[c-]1c(Oc2ccccn2)cccc1-c1[c-]c(Oc2ccccn2)ccc1.
What is the InChIKey of [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?
The InChIKey is WOSMIRZPIFIJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N4.C40H26N4.C40H27N3.C36H35N3.C31H25N3.C22H14N2O2.6Pt/c1-4-20-41(21-5-1)50(42-22-6-2-7-23-42,43-24-8-3-9-25-43)44-30-28-38(29-31-44)49(39-18-14-16-36(34-39)45-26-10-12-32-47-45)40-19-15-17-37(35-40)46-27-11-13-33-48-46;1-3-19-39-35(15-1)36-16-2-4-20-40(36)44(39)32-23-21-31(22-24-32)43(33-13-9-11-29(27-33)37-17-5-7-25-41-37)34-14-10-12-30(28-34)38-18-6-8-26-42-38;1-4-14-30(15-5-1)32-24-34(39-20-10-12-22-41-39)28-37(26-32)43(36-18-8-3-9-19-36)38-27-33(31-16-6-2-7-17-31)25-35(29-38)40-21-11-13-23-42-40;1-35(2,3)28-23-29(36(4,5)6)25-32(24-28)39(30-15-11-13-26(21-30)33-17-7-9-19-37-33)31-16-12-14-27(22-31)34-18-8-10-20-38-34;1-22-18-23(2)31(24(3)19-22)34(27-12-8-10-25(20-27)29-14-4-6-16-32-29)28-13-9-11-26(21-28)30-15-5-7-17-33-30;1-3-13-23-21(11-1)25-19-9-5-7-17(15-19)18-8-6-10-20(16-18)26-22-12-2-4-14-24-22;;;;;;/h1-33H;1-26H;1-27H;7-20,23-25H,1-6H3;4-19H,1-3H3;1-14H;;;;;;/q-1;5*-2;6*+2.
What are the key properties of [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?
[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 has a molecular weight of 4212.24 g/mol, XLogP of 54.97, 37 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158436843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).