6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine

C206H192N12 — CID 157465674

IUPAC6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2c2cccc4c5c(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cccc5n3c24)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cccc3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cccc5n3c24)cc1.Cc1ccc(C)c(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6cc(C)ccc6C)cccc5n3c24)c1.Cc1ccc(C)c(N(c2ccccc2C)c2cccc3c2c2cccc4c5c(N(c6ccccc6C)c6cc(C)ccc6C)cccc5n3c24)c1
InChIInChI=1S/C58H61N3.C54H53N3.C48H41N3.C46H37N3/c1-55(2,3)38-22-30-42(31-23-38)59(43-32-24-39(25-33-43)56(4,5)6)48-18-14-20-50-52(48)46-16-13-17-47-53-49(19-15-21-51(53)61(50)54(46)47)60(44-34-26-40(27-35-44)57(7,8)9)45-36-28-41(29-37-45)58(10,11)12;1-34(2)38-18-26-42(27-19-38)55(43-28-20-39(21-29-43)35(3)4)48-14-10-16-50-52(48)46-12-9-13-47-53-49(15-11-17-51(53)57(50)54(46)47)56(44-30-22-40(23-31-44)36(5)6)45-32-24-41(25-33-45)37(7)8;1-30-24-26-34(5)44(28-30)49(38-18-9-7-14-32(38)3)40-20-12-22-42-46(40)36-16-11-17-37-47-41(21-13-23-43(47)51(42)48(36)37)50(39-19-10-8-15-33(39)4)45-29-31(2)25-27-35(45)6;1-30-24-26-32(3)42(28-30)47(34-14-7-5-8-15-34)38-20-12-22-40-44(38)36-18-11-19-37-45-39(21-13-23-41(45)49(40)46(36)37)48(35-16-9-6-10-17-35)43-29-31(2)25-27-33(43)4/h13-37H,1-12H3;9-37H,1-8H3;7-29H,1-6H3;5-29H,1-4H3
InChIKeyBULGEFLFCJMIDP-UHFFFAOYSA-N
MW2835.89 g/mol
LogP59.87
Rot. Bonds28

About 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine

6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine (PubChem CID 157465674) has the molecular formula C206H192N12 and a molecular weight of 2835.89 g/mol. Its IUPAC name is 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine.

Molecular Properties

Compound Name6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
PubChem CID157465674
Molecular FormulaC206H192N12
Molecular Weight2835.89 g/mol
Exact Mass2833.54
IUPAC Name6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2c2cccc4c5c(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cccc5n3c24)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cccc3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cccc5n3c24)cc1.Cc1ccc(C)c(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6cc(C)ccc6C)cccc5n3c24)c1.Cc1ccc(C)c(N(c2ccccc2C)c2cccc3c2c2cccc4c5c(N(c6ccccc6C)c6cc(C)ccc6C)cccc5n3c24)c1
InChIInChI=1S/C58H61N3.C54H53N3.C48H41N3.C46H37N3/c1-55(2,3)38-22-30-42(31-23-38)59(43-32-24-39(25-33-43)56(4,5)6)48-18-14-20-50-52(48)46-16-13-17-47-53-49(19-15-21-51(53)61(50)54(46)47)60(44-34-26-40(27-35-44)57(7,8)9)45-36-28-41(29-37-45)58(10,11)12;1-34(2)38-18-26-42(27-19-38)55(43-28-20-39(21-29-43)35(3)4)48-14-10-16-50-52(48)46-12-9-13-47-53-49(15-11-17-51(53)57(50)54(46)47)56(44-30-22-40(23-31-44)36(5)6)45-32-24-41(25-33-45)37(7)8;1-30-24-26-34(5)44(28-30)49(38-18-9-7-14-32(38)3)40-20-12-22-42-46(40)36-16-11-17-37-47-41(21-13-23-43(47)51(42)48(36)37)50(39-19-10-8-15-33(39)4)45-29-31(2)25-27-35(45)6;1-30-24-26-32(3)42(28-30)47(34-14-7-5-8-15-34)38-20-12-22-40-44(38)36-18-11-19-37-45-39(21-13-23-41(45)49(40)46(36)37)48(35-16-9-6-10-17-35)43-29-31(2)25-27-33(43)4/h13-37H,1-12H3;9-37H,1-8H3;7-29H,1-6H3;5-29H,1-4H3
InChIKeyBULGEFLFCJMIDP-UHFFFAOYSA-N
XLogP59.87
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002835.89
LogP ≤ 559.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine with MolForge

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Related Compounds

10-N,18-N-bis(4-tert-butylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(2-methylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(3-methylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-diphenyl-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 165003865
6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 146375884
6-N,14-N-bis(4-tert-butylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 146376272
6-N-(4-tert-butylphenyl)-14-N-[4-[2-methyl-1-[2-methyl-5-(4-methyl-N-[14-(4-methyl-N-(4-methylphenyl)anilino)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]anilino)phenyl]propan-2-yl]phenyl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 149206250
10-N,25-N-bis(2,4-dimethylphenyl)-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-bis(2,5-dimethylphenyl)-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,10-N,25-N,25-N-tetrakis(4-cyclohexylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 158302574
13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(2-methylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(4-methylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;methane;13-N-(2-methylphenyl)-28-N-(3-methylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 161260980
6-N,14-N-diphenyl-6-N,14-N-bis(2-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-diphenyl-6-N,14-N-bis(3-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 159926319
13-N,28-N-bis[2-(4-tert-butylphenyl)-4-propan-2-ylphenyl]-13-N,28-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724251
10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;25-N-(6-methyldibenzofuran-4-yl)-10-N,25-N-diphenyl-10-N-(6-trimethylsilyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 160767633
10-N,25-N-diphenyl-10-N,25-N-bis(3,4,5-trimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138745149
8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 158366326
10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 146376358

Frequently Asked Questions

What is the IUPAC name of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
The IUPAC name of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine (CID 157465674) is 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine.
What is the SMILES notation for 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
The canonical SMILES for 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2c2cccc4c5c(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cccc5n3c24)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cccc3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)cccc5n3c24)cc1.Cc1ccc(C)c(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6cc(C)ccc6C)cccc5n3c24)c1.Cc1ccc(C)c(N(c2ccccc2C)c2cccc3c2c2cccc4c5c(N(c6ccccc6C)c6cc(C)ccc6C)cccc5n3c24)c1.
What is the InChIKey of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
The InChIKey is BULGEFLFCJMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H61N3.C54H53N3.C48H41N3.C46H37N3/c1-55(2,3)38-22-30-42(31-23-38)59(43-32-24-39(25-33-43)56(4,5)6)48-18-14-20-50-52(48)46-16-13-17-47-53-49(19-15-21-51(53)61(50)54(46)47)60(44-34-26-40(27-35-44)57(7,8)9)45-36-28-41(29-37-45)58(10,11)12;1-34(2)38-18-26-42(27-19-38)55(43-28-20-39(21-29-43)35(3)4)48-14-10-16-50-52(48)46-12-9-13-47-53-49(15-11-17-51(53)57(50)54(46)47)56(44-30-22-40(23-31-44)36(5)6)45-32-24-41(25-33-45)37(7)8;1-30-24-26-34(5)44(28-30)49(38-18-9-7-14-32(38)3)40-20-12-22-42-46(40)36-16-11-17-37-47-41(21-13-23-43(47)51(42)48(36)37)50(39-19-10-8-15-33(39)4)45-29-31(2)25-27-35(45)6;1-30-24-26-32(3)42(28-30)47(34-14-7-5-8-15-34)38-20-12-22-40-44(38)36-18-11-19-37-45-39(21-13-23-41(45)49(40)46(36)37)48(35-16-9-6-10-17-35)43-29-31(2)25-27-33(43)4/h13-37H,1-12H3;9-37H,1-8H3;7-29H,1-6H3;5-29H,1-4H3.
What are the key properties of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine has a molecular weight of 2835.89 g/mol, XLogP of 59.87, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine is sourced from PubChem (CID 157465674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).