9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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

C274H186N10O12 — CID 157233517

IUPAC9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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
SMILESCCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3c(-c4ccccc4)c4oc6cc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9CC)ccc7cc6c4cc35)ccc21.Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)c1.Cc1cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)c(C)c(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)cc(C)c1C.c1ccc(-c2c3c(cc4oc5cc6cc(N(c7ccccc7)c7ccccc7)ccc6cc5c24)oc2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc23)cc1
InChIInChI=1S/C74H52N2O4.C72H50N4O2.C72H48N2O4.C56H36N2O2/c1-41-28-56(29-42(2)45(41)5)75(54-24-26-68-62(38-54)58-16-10-12-18-66(58)77-68)52-22-20-48-34-60-64-40-65-61-35-49-21-23-53(33-51(49)37-71(61)80-74(65)72(47-14-8-7-9-15-47)73(64)79-70(60)36-50(48)32-52)76(57-30-43(3)46(6)44(4)31-57)55-25-27-69-63(39-55)59-17-11-13-19-67(59)78-69;1-3-73-64-26-16-14-24-56(64)58-42-54(32-34-66(58)73)75(50-20-10-6-11-21-50)52-30-28-46-38-60-62-44-63-61-39-47-29-31-53(76(51-22-12-7-13-23-51)55-33-35-67-59(43-55)57-25-15-17-27-65(57)74(67)4-2)37-49(47)41-69(61)78-72(63)70(45-18-8-5-9-19-45)71(62)77-68(60)40-48(46)36-52;1-41-26-42(2)29-54(28-41)73(52-22-24-66-60(38-52)56-14-8-10-16-64(56)75-66)50-20-18-46-34-58-62-40-63-59-35-47-19-21-51(74(55-30-43(3)27-44(4)31-55)53-23-25-67-61(39-53)57-15-9-11-17-65(57)76-67)33-49(47)37-69(59)78-72(63)70(45-12-6-5-7-13-45)71(62)77-68(58)36-48(46)32-50;1-6-16-37(17-7-1)54-55-48-32-38-26-28-46(57(42-18-8-2-9-19-42)43-20-10-3-11-21-43)30-40(38)34-50(48)59-52(55)36-53-56(54)49-33-39-27-29-47(31-41(39)35-51(49)60-53)58(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h7-40H,1-6H3;5-44H,3-4H2,1-2H3;5-40H,1-4H3;1-36H
InChIKeyAUJJJAPAXDYMAE-UHFFFAOYSA-N
MW3810.56 g/mol
LogP80.53
Rot. Bonds30

About 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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

9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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 (PubChem CID 157233517) has the molecular formula C274H186N10O12 and a molecular weight of 3810.56 g/mol. Its IUPAC name is 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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.

Molecular Properties

Compound Name9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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
PubChem CID157233517
Molecular FormulaC274H186N10O12
Molecular Weight3810.56 g/mol
Exact Mass3807.43
IUPAC Name9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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
SMILESCCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3c(-c4ccccc4)c4oc6cc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9CC)ccc7cc6c4cc35)ccc21.Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)c1.Cc1cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)c(C)c(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)cc(C)c1C.c1ccc(-c2c3c(cc4oc5cc6cc(N(c7ccccc7)c7ccccc7)ccc6cc5c24)oc2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc23)cc1
InChIInChI=1S/C74H52N2O4.C72H50N4O2.C72H48N2O4.C56H36N2O2/c1-41-28-56(29-42(2)45(41)5)75(54-24-26-68-62(38-54)58-16-10-12-18-66(58)77-68)52-22-20-48-34-60-64-40-65-61-35-49-21-23-53(33-51(49)37-71(61)80-74(65)72(47-14-8-7-9-15-47)73(64)79-70(60)36-50(48)32-52)76(57-30-43(3)46(6)44(4)31-57)55-25-27-69-63(39-55)59-17-11-13-19-67(59)78-69;1-3-73-64-26-16-14-24-56(64)58-42-54(32-34-66(58)73)75(50-20-10-6-11-21-50)52-30-28-46-38-60-62-44-63-61-39-47-29-31-53(76(51-22-12-7-13-23-51)55-33-35-67-59(43-55)57-25-15-17-27-65(57)74(67)4-2)37-49(47)41-69(61)78-72(63)70(45-18-8-5-9-19-45)71(62)77-68(60)40-48(46)36-52;1-41-26-42(2)29-54(28-41)73(52-22-24-66-60(38-52)56-14-8-10-16-64(56)75-66)50-20-18-46-34-58-62-40-63-59-35-47-19-21-51(74(55-30-43(3)27-44(4)31-55)53-23-25-67-61(39-53)57-15-9-11-17-65(57)76-67)33-49(47)37-69(59)78-72(63)70(45-12-6-5-7-13-45)71(62)77-68(58)36-48(46)32-50;1-6-16-37(17-7-1)54-55-48-32-38-26-28-46(57(42-18-8-2-9-19-42)43-20-10-3-11-21-43)30-40(38)34-50(48)59-52(55)36-53-56(54)49-33-39-27-29-47(31-41(39)35-51(49)60-53)58(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h7-40H,1-6H3;5-44H,3-4H2,1-2H3;5-40H,1-4H3;1-36H
InChIKeyAUJJJAPAXDYMAE-UHFFFAOYSA-N
XLogP80.53
TPSA193.46 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003810.56
LogP ≤ 580.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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?
The IUPAC name of 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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 (CID 157233517) is 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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.
What is the SMILES notation for 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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?
The canonical SMILES for 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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 is CCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3c(-c4ccccc4)c4oc6cc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9CC)ccc7cc6c4cc35)ccc21.Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)c1.Cc1cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)c(C)c(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)cc(C)c1C.c1ccc(-c2c3c(cc4oc5cc6cc(N(c7ccccc7)c7ccccc7)ccc6cc5c24)oc2cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc23)cc1.
What is the InChIKey of 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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?
The InChIKey is AUJJJAPAXDYMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2O4.C72H50N4O2.C72H48N2O4.C56H36N2O2/c1-41-28-56(29-42(2)45(41)5)75(54-24-26-68-62(38-54)58-16-10-12-18-66(58)77-68)52-22-20-48-34-60-64-40-65-61-35-49-21-23-53(33-51(49)37-71(61)80-74(65)72(47-14-8-7-9-15-47)73(64)79-70(60)36-50(48)32-52)76(57-30-43(3)46(6)44(4)31-57)55-25-27-69-63(39-55)59-17-11-13-19-67(59)78-69;1-3-73-64-26-16-14-24-56(64)58-42-54(32-34-66(58)73)75(50-20-10-6-11-21-50)52-30-28-46-38-60-62-44-63-61-39-47-29-31-53(76(51-22-12-7-13-23-51)55-33-35-67-59(43-55)57-25-15-17-27-65(57)74(67)4-2)37-49(47)41-69(61)78-72(63)70(45-18-8-5-9-19-45)71(62)77-68(60)40-48(46)36-52;1-41-26-42(2)29-54(28-41)73(52-22-24-66-60(38-52)56-14-8-10-16-64(56)75-66)50-20-18-46-34-58-62-40-63-59-35-47-19-21-51(74(55-30-43(3)27-44(4)31-55)53-23-25-67-61(39-53)57-15-9-11-17-65(57)76-67)33-49(47)37-69(59)78-72(63)70(45-12-6-5-7-13-45)71(62)77-68(58)36-48(46)32-50;1-6-16-37(17-7-1)54-55-48-32-38-26-28-46(57(42-18-8-2-9-19-42)43-20-10-3-11-21-43)30-40(38)34-50(48)59-52(55)36-53-56(54)49-33-39-27-29-47(31-41(39)35-51(49)60-53)58(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h7-40H,1-6H3;5-44H,3-4H2,1-2H3;5-40H,1-4H3;1-36H.
What are the key properties of 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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?
9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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 has a molecular weight of 3810.56 g/mol, XLogP of 80.53, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N,16-triphenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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;9-N,23-N-di(dibenzofuran-2-yl)-16-phenyl-9-N,23-N-bis(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;9-N,9-N,23-N,23-N,2-pentakis-phenyl-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 is sourced from PubChem (CID 157233517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).