9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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

C244H178N10O10 — CID 157140369

IUPAC9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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(C)c4oc6cc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9CC)ccc7cc6c4c(C)c35)ccc21.Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3c(C)c24)c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7)ccc6cc5c3c(C)c24)c1.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c(C)c2oc4cc5cc(N(c6ccccc6)c6ccccc6C)ccc5cc4c2c(C)c13
InChIInChI=1S/C68H50N4O2.C68H48N2O4.2C54H40N2O2/c1-5-69-59-23-15-13-21-53(59)55-39-51(29-31-61(55)69)71(47-17-9-7-10-18-47)49-27-25-43-35-57-63(37-45(43)33-49)73-67-42(4)68-66(41(3)65(57)67)58-36-44-26-28-50(34-46(44)38-64(58)74-68)72(48-19-11-8-12-20-48)52-30-32-62-56(40-52)54-22-14-16-24-60(54)70(62)6-2;1-37-23-38(2)26-51(25-37)69(49-19-21-61-55(35-49)53-11-7-9-13-59(53)71-61)47-17-15-43-31-57-63(33-45(43)29-47)73-67-42(6)68-66(41(5)65(57)67)58-32-44-16-18-48(30-46(44)34-64(58)74-68)70(52-27-39(3)24-40(4)28-52)50-20-22-62-56(36-50)54-12-8-10-14-60(54)72-62;1-33-15-11-13-21-47(33)55(41-17-7-5-8-18-41)43-25-23-37-29-45-49(31-39(37)27-43)57-53-36(4)54-52(35(3)51(45)53)46-30-38-24-26-44(28-40(38)32-50(46)58-54)56(42-19-9-6-10-20-42)48-22-14-12-16-34(48)2;1-33-13-11-19-43(25-33)55(41-15-7-5-8-16-41)45-23-21-37-29-47-49(31-39(37)27-45)57-53-36(4)54-52(35(3)51(47)53)48-30-38-22-24-46(28-40(38)32-50(48)58-54)56(42-17-9-6-10-18-42)44-20-12-14-34(2)26-44/h7-40H,5-6H2,1-4H3;7-36H,1-6H3;2*5-32H,1-4H3
InChIKeyAKCVDQCASHCNFR-UHFFFAOYSA-N
MW3410.17 g/mol
LogP71.91
Rot. Bonds26

About 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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 157140369) has the molecular formula C244H178N10O10 and a molecular weight of 3410.17 g/mol. Its IUPAC name is 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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 CID157140369
Molecular FormulaC244H178N10O10
Molecular Weight3410.17 g/mol
Exact Mass3407.37
IUPAC Name9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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(C)c4oc6cc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9CC)ccc7cc6c4c(C)c35)ccc21.Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3c(C)c24)c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7)ccc6cc5c3c(C)c24)c1.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c(C)c2oc4cc5cc(N(c6ccccc6)c6ccccc6C)ccc5cc4c2c(C)c13
InChIInChI=1S/C68H50N4O2.C68H48N2O4.2C54H40N2O2/c1-5-69-59-23-15-13-21-53(59)55-39-51(29-31-61(55)69)71(47-17-9-7-10-18-47)49-27-25-43-35-57-63(37-45(43)33-49)73-67-42(4)68-66(41(3)65(57)67)58-36-44-26-28-50(34-46(44)38-64(58)74-68)72(48-19-11-8-12-20-48)52-30-32-62-56(40-52)54-22-14-16-24-60(54)70(62)6-2;1-37-23-38(2)26-51(25-37)69(49-19-21-61-55(35-49)53-11-7-9-13-59(53)71-61)47-17-15-43-31-57-63(33-45(43)29-47)73-67-42(6)68-66(41(5)65(57)67)58-32-44-16-18-48(30-46(44)34-64(58)74-68)70(52-27-39(3)24-40(4)28-52)50-20-22-62-56(36-50)54-12-8-10-14-60(54)72-62;1-33-15-11-13-21-47(33)55(41-17-7-5-8-18-41)43-25-23-37-29-45-49(31-39(37)27-43)57-53-36(4)54-52(35(3)51(45)53)46-30-38-24-26-44(28-40(38)32-50(46)58-54)56(42-19-9-6-10-20-42)48-22-14-12-16-34(48)2;1-33-13-11-19-43(25-33)55(41-15-7-5-8-16-41)45-23-21-37-29-47-49(31-39(37)27-45)57-53-36(4)54-52(35(3)51(47)53)48-30-38-22-24-46(28-40(38)32-50(48)58-54)56(42-17-9-6-10-18-42)44-20-12-14-34(2)26-44/h7-40H,5-6H2,1-4H3;7-36H,1-6H3;2*5-32H,1-4H3
InChIKeyAKCVDQCASHCNFR-UHFFFAOYSA-N
XLogP71.91
TPSA167.18 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003410.17
LogP ≤ 571.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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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Related Compounds

1-[[[11-(2-Ethylhexyl)-5-(2,4,6-trimethoxybenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino]propan-2-one
CID 124166985
14-[2,6-Bis(2-fluorophenyl)-3,5-dimethyl-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553681
14-[2,6-Bis(2-fluorophenyl)-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3,5-di(propan-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553682
14-[(2R)-2-[(1R)-2-methyl-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553715
CID 139553719
CID 139553719
14-[2,6-Bis(3-fluorophenyl)-3,5-dimethyl-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553773
14-[2,6-Bis(3-fluorophenyl)-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3,5-di(propan-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553791
14-[2,6-Bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 148926025
7-N-[9-(4-tert-butylphenyl)-4b,8a-dihydrocarbazol-3-yl]-17-N-[9-(4-tert-butylphenyl)carbazol-3-yl]-7-N,17-N-bis(4-fluorophenyl)-8,16-dimethyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 155041081
19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine
CID 155206515
13,27-Bis(2,6-diphenylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4,6,8,10,12(29),13,15,18,20,22,24,26(30),27-tetradecaene;9-(27-carbazol-9-yl-7,21-diphenyl-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaen-13-yl)carbazole;11-(4-methylphenyl)-25-[4-(trifluoromethyl)phenyl]-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4,6,8,10,12(29),13,15,18,20,22,24,26(30),27-tetradecaene
CID 159858977
[11-(2-Ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 164964607

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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 157140369) is 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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(C)c4oc6cc7cc(N(c8ccccc8)c8ccc9c(c8)c8ccccc8n9CC)ccc7cc6c4c(C)c35)ccc21.Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3c(C)c24)c2ccc3oc4ccccc4c3c2)c1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7)ccc6cc5c3c(C)c24)c1.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c(C)c2oc4cc5cc(N(c6ccccc6)c6ccccc6C)ccc5cc4c2c(C)c13.
What is the InChIKey of 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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 AKCVDQCASHCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N4O2.C68H48N2O4.2C54H40N2O2/c1-5-69-59-23-15-13-21-53(59)55-39-51(29-31-61(55)69)71(47-17-9-7-10-18-47)49-27-25-43-35-57-63(37-45(43)33-49)73-67-42(4)68-66(41(3)65(57)67)58-36-44-26-28-50(34-46(44)38-64(58)74-68)72(48-19-11-8-12-20-48)52-30-32-62-56(40-52)54-22-14-16-24-60(54)70(62)6-2;1-37-23-38(2)26-51(25-37)69(49-19-21-61-55(35-49)53-11-7-9-13-59(53)71-61)47-17-15-43-31-57-63(33-45(43)29-47)73-67-42(6)68-66(41(5)65(57)67)58-32-44-16-18-48(30-46(44)34-64(58)74-68)70(52-27-39(3)24-40(4)28-52)50-20-22-62-56(36-50)54-12-8-10-14-60(54)72-62;1-33-15-11-13-21-47(33)55(41-17-7-5-8-18-41)43-25-23-37-29-45-49(31-39(37)27-43)57-53-36(4)54-52(35(3)51(45)53)46-30-38-24-26-44(28-40(38)32-50(46)58-54)56(42-19-9-6-10-20-42)48-22-14-12-16-34(48)2;1-33-13-11-19-43(25-33)55(41-15-7-5-8-16-41)45-23-21-37-29-47-49(31-39(37)27-45)57-53-36(4)54-52(35(3)51(47)53)48-30-38-22-24-46(28-40(38)32-50(48)58-54)56(42-17-9-6-10-18-42)44-20-12-14-34(2)26-44/h7-40H,5-6H2,1-4H3;7-36H,1-6H3;2*5-32H,1-4H3.
What are the key properties of 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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 3410.17 g/mol, XLogP of 71.91, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(9-ethylcarbazol-3-yl)-2,16-dimethyl-9-N,23-N-diphenyl-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)-2,16-dimethyl-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;2,16-dimethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-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;2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-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 157140369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).