N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))

C118H73N15O6Pt3S — CID 160644403

IUPACN-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))
SMILESCc1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4ccccc4)ccc3)cc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4ccccc4)ccc3)cc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4cccs4)ccc3)cc12.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C40H25N5O2.C38H23N5O2S.3Pt/c2*1-24-14-16-31-33-20-35(41-22-37(33)46-39(31)43-24)26-8-6-12-29(18-26)45(28-10-4-3-5-11-28)30-13-7-9-27(19-30)36-21-34-32-17-15-25(2)44-40(32)47-38(34)23-42-36;1-22-11-13-28-30-18-32(39-20-34(30)44-37(28)41-22)24-6-3-8-26(16-24)43(36-10-5-15-46-36)27-9-4-7-25(17-27)33-19-31-29-14-12-23(2)42-38(29)45-35(31)21-40-33;;;/h2*3-17,20-23H,1-2H3;3-15,18-21H,1-2H3;;;/q3*-2;3*+2/i1D3;;1D3;;;
InChIKeyUMIJVOBAIYOYES-GTYSBILASA-N
MW2420.32 g/mol
LogP30.31
Rot. Bonds17

About N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))

N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)) (PubChem CID 160644403) has the molecular formula C118H73N15O6Pt3S and a molecular weight of 2420.32 g/mol. Its IUPAC name is N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)).

Molecular Properties

Compound NameN-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))
PubChem CID160644403
Molecular FormulaC118H73N15O6Pt3S
Molecular Weight2420.32 g/mol
Exact Mass2418.49
IUPAC NameN-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))
SMILESCc1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4ccccc4)ccc3)cc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4ccccc4)ccc3)cc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4cccs4)ccc3)cc12.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C40H25N5O2.C38H23N5O2S.3Pt/c2*1-24-14-16-31-33-20-35(41-22-37(33)46-39(31)43-24)26-8-6-12-29(18-26)45(28-10-4-3-5-11-28)30-13-7-9-27(19-30)36-21-34-32-17-15-25(2)44-40(32)47-38(34)23-42-36;1-22-11-13-28-30-18-32(39-20-34(30)44-37(28)41-22)24-6-3-8-26(16-24)43(36-10-5-15-46-36)27-9-4-7-25(17-27)33-19-31-29-14-12-23(2)42-38(29)45-35(31)21-40-33;;;/h2*3-17,20-23H,1-2H3;3-15,18-21H,1-2H3;;;/q3*-2;3*+2/i1D3;;1D3;;;
InChIKeyUMIJVOBAIYOYES-GTYSBILASA-N
XLogP30.31
TPSA243.24 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002420.32
LogP ≤ 530.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)) with MolForge

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Related Compounds

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CID 159086800
4-[10-([1]Benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 130191527
[6-([1]Benzofuro[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-3-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811454
[6-([1]Benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811646
platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-2-yl-1,3-benzoxazole
CID 142328029
platinum(2+);2-[9-(3-pyridin-2-yl-5-thiophen-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-6-thiophen-3-yl-1,3-benzoxazole
CID 142329581
2-[5-[3-[5-(1,3-Benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzoxazole
CID 144435560
2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;2-[4-(4-hexyl-2,3-dihydrothiophen-5-yl)-2H-pyridin-1-id-6-yl]-4-(3-hexylthiophen-2-yl)pyridine;ruthenium(2+);isothiocyanate
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iridium(3+);11-methyl-3-[6-[4-[4-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]benzene-5-id-1-yl]hexyl]-6-phenyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153310564
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CID 155204919
8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-c]pyridin-2-ium-7-ide;tris(iridium);2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-c]pyridin-2-ium-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
CID 157125664
1-[10-([1]Benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine
CID 157132572

Frequently Asked Questions

What is the IUPAC name of N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))?
The IUPAC name of N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)) (CID 160644403) is N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)).
What is the SMILES notation for N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))?
The canonical SMILES for N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)) is Cc1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4ccccc4)ccc3)cc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4ccccc4)ccc3)cc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1cnc(-c3[c-]c(N(c4[c-]c(-c5cc6c(cn5)oc5nc(C)ccc56)ccc4)c4cccs4)ccc3)cc12.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))?
The InChIKey is UMIJVOBAIYOYES-GTYSBILASA-N. The full InChI is InChI=1S/2C40H25N5O2.C38H23N5O2S.3Pt/c2*1-24-14-16-31-33-20-35(41-22-37(33)46-39(31)43-24)26-8-6-12-29(18-26)45(28-10-4-3-5-11-28)30-13-7-9-27(19-30)36-21-34-32-17-15-25(2)44-40(32)47-38(34)23-42-36;1-22-11-13-28-30-18-32(39-20-34(30)44-37(28)41-22)24-6-3-8-26(16-24)43(36-10-5-15-46-36)27-9-4-7-25(17-27)33-19-31-29-14-12-23(2)42-38(29)45-35(31)21-40-33;;;/h2*3-17,20-23H,1-2H3;3-15,18-21H,1-2H3;;;/q3*-2;3*+2/i1D3;;1D3;;;.
What are the key properties of N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+))?
N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)) has a molecular weight of 2420.32 g/mol, XLogP of 30.31, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]thiophen-2-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-[3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(11-methyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-N-phenyl-N-[3-[11-(trideuteriomethyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tris(platinum(2+)) is sourced from PubChem (CID 160644403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).