8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

C252H198N10O8 — CID 161188843

IUPAC8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESCC(C)c1cc2c3cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc3oc2c2oc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c12.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)oc2c(-n3c5ccccc5c5ccccc53)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)c1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c(-n3c5ccccc5c5ccccc53)c3oc5cc6cc(N(c7cc(C)c(C)c(C)c7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc(C)c1C.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c3cc(C(C)C)c2c3cc4ccc(N(c5ccccc5)c5ccccc5C)cc4cc3oc12
InChIInChI=1S/C74H63N3O2.C70H55N3O2.C55H42N2O2.C53H38N2O2/c1-40-25-58(26-41(2)48(40)9)75(59-27-42(3)49(10)43(4)28-59)56-23-21-52-35-64-66-39-67-65-36-53-22-24-57(76(60-29-44(5)50(11)45(6)30-60)61-31-46(7)51(12)47(8)32-61)34-55(53)38-71(65)79-74(67)72(73(66)78-70(64)37-54(52)33-56)77-68-19-15-13-17-62(68)63-18-14-16-20-69(63)77;1-40-21-41(2)26-54(25-40)71(55-27-42(3)22-43(4)28-55)52-19-17-48-35-60-62-39-63-61-36-49-18-20-53(72(56-29-44(5)23-45(6)30-56)57-31-46(7)24-47(8)32-57)34-51(49)38-67(61)75-70(63)68(69(62)74-66(60)37-50(48)33-52)73-64-15-11-9-13-58(64)59-14-10-12-16-65(59)73;1-34(2)45-33-47-46-29-37-23-25-43(56(41-17-7-5-8-18-41)49-21-13-11-15-35(49)3)27-39(37)31-51(46)58-54(47)55-53(45)48-30-38-24-26-44(28-40(38)32-52(48)59-55)57(42-19-9-6-10-20-42)50-22-14-12-16-36(50)4;1-34(2)45-33-47-46-29-35-23-25-43(54(39-15-7-3-8-16-39)40-17-9-4-10-18-40)27-37(35)31-49(46)56-52(47)53-51(45)48-30-36-24-26-44(28-38(36)32-50(48)57-53)55(41-19-11-5-12-20-41)42-21-13-6-14-22-42/h13-39H,1-12H3;9-39H,1-8H3;5-34H,1-4H3;3-34H,1-2H3
InChIKeyUTLGZLACFLTWMC-UHFFFAOYSA-N
MW3494.42 g/mol
LogP74.15
Rot. Bonds28

About 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 161188843) has the molecular formula C252H198N10O8 and a molecular weight of 3494.42 g/mol. Its IUPAC name is 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
PubChem CID161188843
Molecular FormulaC252H198N10O8
Molecular Weight3494.42 g/mol
Exact Mass3491.54
IUPAC Name8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESCC(C)c1cc2c3cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc3oc2c2oc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c12.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)oc2c(-n3c5ccccc5c5ccccc53)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)c1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c(-n3c5ccccc5c5ccccc53)c3oc5cc6cc(N(c7cc(C)c(C)c(C)c7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc(C)c1C.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c3cc(C(C)C)c2c3cc4ccc(N(c5ccccc5)c5ccccc5C)cc4cc3oc12
InChIInChI=1S/C74H63N3O2.C70H55N3O2.C55H42N2O2.C53H38N2O2/c1-40-25-58(26-41(2)48(40)9)75(59-27-42(3)49(10)43(4)28-59)56-23-21-52-35-64-66-39-67-65-36-53-22-24-57(76(60-29-44(5)50(11)45(6)30-60)61-31-46(7)51(12)47(8)32-61)34-55(53)38-71(65)79-74(67)72(73(66)78-70(64)37-54(52)33-56)77-68-19-15-13-17-62(68)63-18-14-16-20-69(63)77;1-40-21-41(2)26-54(25-40)71(55-27-42(3)22-43(4)28-55)52-19-17-48-35-60-62-39-63-61-36-49-18-20-53(72(56-29-44(5)23-45(6)30-56)57-31-46(7)24-47(8)32-57)34-51(49)38-67(61)75-70(63)68(69(62)74-66(60)37-50(48)33-52)73-64-15-11-9-13-58(64)59-14-10-12-16-65(59)73;1-34(2)45-33-47-46-29-37-23-25-43(56(41-17-7-5-8-18-41)49-21-13-11-15-35(49)3)27-39(37)31-51(46)58-54(47)55-53(45)48-30-38-24-26-44(28-40(38)32-52(48)59-55)57(42-19-9-6-10-20-42)50-22-14-12-16-36(50)4;1-34(2)45-33-47-46-29-35-23-25-43(54(39-15-7-3-8-16-39)40-17-9-4-10-18-40)27-37(35)31-49(46)56-52(47)53-51(45)48-30-36-24-26-44(28-38(36)32-50(48)57-53)55(41-19-11-5-12-20-41)42-21-13-6-14-22-42/h13-39H,1-12H3;9-39H,1-8H3;5-34H,1-4H3;3-34H,1-2H3
InChIKeyUTLGZLACFLTWMC-UHFFFAOYSA-N
XLogP74.15
TPSA140.90 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms270
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003494.42
LogP ≤ 574.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 161188843) is 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is CC(C)c1cc2c3cc4ccc(N(c5ccccc5)c5ccccc5)cc4cc3oc2c2oc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c12.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)oc2c(-n3c5ccccc5c5ccccc53)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)c1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c(-n3c5ccccc5c5ccccc53)c3oc5cc6cc(N(c7cc(C)c(C)c(C)c7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc(C)c1C.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c3cc(C(C)C)c2c3cc4ccc(N(c5ccccc5)c5ccccc5C)cc4cc3oc12.
What is the InChIKey of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?
The InChIKey is UTLGZLACFLTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H63N3O2.C70H55N3O2.C55H42N2O2.C53H38N2O2/c1-40-25-58(26-41(2)48(40)9)75(59-27-42(3)49(10)43(4)28-59)56-23-21-52-35-64-66-39-67-65-36-53-22-24-57(76(60-29-44(5)50(11)45(6)30-60)61-31-46(7)51(12)47(8)32-61)34-55(53)38-71(65)79-74(67)72(73(66)78-70(64)37-54(52)33-56)77-68-19-15-13-17-62(68)63-18-14-16-20-69(63)77;1-40-21-41(2)26-54(25-40)71(55-27-42(3)22-43(4)28-55)52-19-17-48-35-60-62-39-63-61-36-49-18-20-53(72(56-29-44(5)23-45(6)30-56)57-31-46(7)24-47(8)32-57)34-51(49)38-67(61)75-70(63)68(69(62)74-66(60)37-50(48)33-52)73-64-15-11-9-13-58(64)59-14-10-12-16-65(59)73;1-34(2)45-33-47-46-29-37-23-25-43(56(41-17-7-5-8-18-41)49-21-13-11-15-35(49)3)27-39(37)31-51(46)58-54(47)55-53(45)48-30-38-24-26-44(28-40(38)32-52(48)59-55)57(42-19-9-6-10-20-42)50-22-14-12-16-36(50)4;1-34(2)45-33-47-46-29-35-23-25-43(54(39-15-7-3-8-16-39)40-17-9-4-10-18-40)27-37(35)31-49(46)56-52(47)53-51(45)48-30-36-24-26-44(28-38(36)32-50(48)57-53)55(41-19-11-5-12-20-41)42-21-13-6-14-22-42/h13-39H,1-12H3;9-39H,1-8H3;5-34H,1-4H3;3-34H,1-2H3.
What are the key properties of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 3494.42 g/mol, XLogP of 74.15, 28 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,5-dimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-carbazol-9-yl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 161188843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).