N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))

C169H138F6N14O6Pt3 — CID 158282275

IUPACN,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))
SMILESCc1cc(-c2nccc3cc(-c4c(C)cccc4C)oc23)[c-]c(N(c2[c-]c(-c3nccc4cc(-c5c(C)cccc5C)oc34)cc(C(F)(F)F)c2)c2c(C)ccnc2C)c1.Cc1cc(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)[c-]c(N(c2[c-]c(-c3nccc4cc(-c5ccc(C(C)(C)C)cc5)oc34)cc(C(F)(F)F)c2)c2c(C)ncnc2C)c1.Cc1ncnc(C)c1N(c1[c-]c(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)cc(-c2ccccc2)c1)c1[c-]c(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)cc(-c2ccccc2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C64H53N5O2.C54H46F3N5O2.C51H39F3N4O2.3Pt/c1-40-60(41(2)68-39-67-40)69(54-33-48(42-15-11-9-12-16-42)31-50(35-54)58-61-46(27-29-65-58)37-56(70-61)44-19-23-52(24-20-44)63(3,4)5)55-34-49(43-17-13-10-14-18-43)32-51(36-55)59-62-47(28-30-66-59)38-57(71-62)45-21-25-53(26-22-45)64(6,7)8;1-31-22-38(47-50-36(18-20-58-47)27-45(63-50)34-10-14-40(15-11-34)52(4,5)6)25-43(23-31)62(49-32(2)60-30-61-33(49)3)44-26-39(24-42(29-44)54(55,56)57)48-51-37(19-21-59-48)28-46(64-51)35-12-16-41(17-13-35)53(7,8)9;1-28-20-37(46-49-35(15-18-56-46)25-42(59-49)44-29(2)10-8-11-30(44)3)23-40(21-28)58(48-33(6)14-17-55-34(48)7)41-24-38(22-39(27-41)51(52,53)54)47-50-36(16-19-57-47)26-43(60-50)45-31(4)12-9-13-32(45)5;;;/h9-34,37-39H,1-8H3;10-24,27-30H,1-9H3;8-22,25-27H,1-7H3;;;/q3*-2;3*+2
InChIKeyPNYIXKOTYVLZCL-UHFFFAOYSA-N
MW3160.28 g/mol
LogP46.35
Rot. Bonds23

About N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))

N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)) (PubChem CID 158282275) has the molecular formula C169H138F6N14O6Pt3 and a molecular weight of 3160.28 g/mol. Its IUPAC name is N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)).

Molecular Properties

Compound NameN,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))
PubChem CID158282275
Molecular FormulaC169H138F6N14O6Pt3
Molecular Weight3160.28 g/mol
Exact Mass3157.98
IUPAC NameN,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))
SMILESCc1cc(-c2nccc3cc(-c4c(C)cccc4C)oc23)[c-]c(N(c2[c-]c(-c3nccc4cc(-c5c(C)cccc5C)oc34)cc(C(F)(F)F)c2)c2c(C)ccnc2C)c1.Cc1cc(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)[c-]c(N(c2[c-]c(-c3nccc4cc(-c5ccc(C(C)(C)C)cc5)oc34)cc(C(F)(F)F)c2)c2c(C)ncnc2C)c1.Cc1ncnc(C)c1N(c1[c-]c(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)cc(-c2ccccc2)c1)c1[c-]c(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)cc(-c2ccccc2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C64H53N5O2.C54H46F3N5O2.C51H39F3N4O2.3Pt/c1-40-60(41(2)68-39-67-40)69(54-33-48(42-15-11-9-12-16-42)31-50(35-54)58-61-46(27-29-65-58)37-56(70-61)44-19-23-52(24-20-44)63(3,4)5)55-34-49(43-17-13-10-14-18-43)32-51(36-55)59-62-47(28-30-66-59)38-57(71-62)45-21-25-53(26-22-45)64(6,7)8;1-31-22-38(47-50-36(18-20-58-47)27-45(63-50)34-10-14-40(15-11-34)52(4,5)6)25-43(23-31)62(49-32(2)60-30-61-33(49)3)44-26-39(24-42(29-44)54(55,56)57)48-51-37(19-21-59-48)28-46(64-51)35-12-16-41(17-13-35)53(7,8)9;1-28-20-37(46-49-35(15-18-56-46)25-42(59-49)44-29(2)10-8-11-30(44)3)23-40(21-28)58(48-33(6)14-17-55-34(48)7)41-24-38(22-39(27-41)51(52,53)54)47-50-36(16-19-57-47)26-43(60-50)45-31(4)12-9-13-32(45)5;;;/h9-34,37-39H,1-8H3;10-24,27-30H,1-9H3;8-22,25-27H,1-7H3;;;/q3*-2;3*+2
InChIKeyPNYIXKOTYVLZCL-UHFFFAOYSA-N
XLogP46.35
TPSA230.35 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003160.28
LogP ≤ 546.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))?
The IUPAC name of N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)) (CID 158282275) is N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)).
What is the SMILES notation for N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))?
The canonical SMILES for N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)) is Cc1cc(-c2nccc3cc(-c4c(C)cccc4C)oc23)[c-]c(N(c2[c-]c(-c3nccc4cc(-c5c(C)cccc5C)oc34)cc(C(F)(F)F)c2)c2c(C)ccnc2C)c1.Cc1cc(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)[c-]c(N(c2[c-]c(-c3nccc4cc(-c5ccc(C(C)(C)C)cc5)oc34)cc(C(F)(F)F)c2)c2c(C)ncnc2C)c1.Cc1ncnc(C)c1N(c1[c-]c(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)cc(-c2ccccc2)c1)c1[c-]c(-c2nccc3cc(-c4ccc(C(C)(C)C)cc4)oc23)cc(-c2ccccc2)c1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))?
The InChIKey is PNYIXKOTYVLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H53N5O2.C54H46F3N5O2.C51H39F3N4O2.3Pt/c1-40-60(41(2)68-39-67-40)69(54-33-48(42-15-11-9-12-16-42)31-50(35-54)58-61-46(27-29-65-58)37-56(70-61)44-19-23-52(24-20-44)63(3,4)5)55-34-49(43-17-13-10-14-18-43)32-51(36-55)59-62-47(28-30-66-59)38-57(71-62)45-21-25-53(26-22-45)64(6,7)8;1-31-22-38(47-50-36(18-20-58-47)27-45(63-50)34-10-14-40(15-11-34)52(4,5)6)25-43(23-31)62(49-32(2)60-30-61-33(49)3)44-26-39(24-42(29-44)54(55,56)57)48-51-37(19-21-59-48)28-46(64-51)35-12-16-41(17-13-35)53(7,8)9;1-28-20-37(46-49-35(15-18-56-46)25-42(59-49)44-29(2)10-8-11-30(44)3)23-40(21-28)58(48-33(6)14-17-55-34(48)7)41-24-38(22-39(27-41)51(52,53)54)47-50-36(16-19-57-47)26-43(60-50)45-31(4)12-9-13-32(45)5;;;/h9-34,37-39H,1-8H3;10-24,27-30H,1-9H3;8-22,25-27H,1-7H3;;;/q3*-2;3*+2.
What are the key properties of N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+))?
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)) has a molecular weight of 3160.28 g/mol, XLogP of 46.35, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tris(platinum(2+)) is sourced from PubChem (CID 158282275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).