7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

C228H154N6O12 — CID 158714126

IUPAC7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESCC(C)c1ccc(N(c2ccc3c(c2)oc2cc4ccccc4cc23)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)oc7cc9ccccc9cc78)ccc6c5cc4cc23)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)oc3cc5cc6oc7cc(N(c8cccc(-c9ccccc9)c8)c8ccc9c(c8)oc8ccc%10ccccc%10c89)ccc7c6cc5cc34)c3ccc4c(c3)oc3ccc5ccccc5c34)c2)cc1.c1ccc2c(c1)ccc1c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)oc4cc6cc7oc8cc(N(c9ccc(C%10CCCCC%10)cc9)c9ccc%10c(c9)oc9c%11ccccc%11ccc%109)ccc8c7cc6cc45)cc3oc21
InChIInChI=1S/C78H46N2O4.C78H58N2O4.C72H50N2O4/c1-3-13-47(14-4-1)51-19-11-21-55(37-51)79(59-29-33-65-75(45-59)81-69-35-25-49-17-7-9-23-61(49)77(65)69)57-27-31-63-67-39-53-40-68-64-32-28-58(44-74(64)84-72(68)42-54(53)41-71(67)83-73(63)43-57)80(56-22-12-20-52(38-56)48-15-5-2-6-16-48)60-30-34-66-76(46-60)82-70-36-26-50-18-8-10-24-62(50)78(66)70;1-3-11-47(12-4-1)49-19-25-55(26-20-49)79(59-29-35-63-67-33-23-51-15-7-9-17-61(51)77(67)83-75(63)45-59)57-31-37-65-69-39-53-40-70-66-38-32-58(44-74(66)82-72(70)42-54(53)41-71(69)81-73(65)43-57)80(56-27-21-50(22-28-56)48-13-5-2-6-14-48)60-30-36-64-68-34-24-52-16-8-10-18-62(52)78(68)84-76(64)46-60;1-41(2)43-13-17-51(18-14-43)73(53-21-25-57-61-29-45-9-5-7-11-47(45)33-65(61)75-69(57)37-53)55-23-27-59-63-31-49-32-64-60-28-24-56(40-72(60)78-68(64)36-50(49)35-67(63)77-71(59)39-55)74(52-19-15-44(16-20-52)42(3)4)54-22-26-58-62-30-46-10-6-8-12-48(46)34-66(62)76-70(58)38-54/h1-46H;7-10,15-48H,1-6,11-14H2;5-42H,1-4H3
InChIKeyIJCCWUBMMKMDGX-UHFFFAOYSA-N
MW3169.77 g/mol
LogP68.73
Rot. Bonds24

About 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (PubChem CID 158714126) has the molecular formula C228H154N6O12 and a molecular weight of 3169.77 g/mol. Its IUPAC name is 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
PubChem CID158714126
Molecular FormulaC228H154N6O12
Molecular Weight3169.77 g/mol
Exact Mass3167.16
IUPAC Name7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESCC(C)c1ccc(N(c2ccc3c(c2)oc2cc4ccccc4cc23)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)oc7cc9ccccc9cc78)ccc6c5cc4cc23)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)oc3cc5cc6oc7cc(N(c8cccc(-c9ccccc9)c8)c8ccc9c(c8)oc8ccc%10ccccc%10c89)ccc7c6cc5cc34)c3ccc4c(c3)oc3ccc5ccccc5c34)c2)cc1.c1ccc2c(c1)ccc1c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)oc4cc6cc7oc8cc(N(c9ccc(C%10CCCCC%10)cc9)c9ccc%10c(c9)oc9c%11ccccc%11ccc%109)ccc8c7cc6cc45)cc3oc21
InChIInChI=1S/C78H46N2O4.C78H58N2O4.C72H50N2O4/c1-3-13-47(14-4-1)51-19-11-21-55(37-51)79(59-29-33-65-75(45-59)81-69-35-25-49-17-7-9-23-61(49)77(65)69)57-27-31-63-67-39-53-40-68-64-32-28-58(44-74(64)84-72(68)42-54(53)41-71(67)83-73(63)43-57)80(56-22-12-20-52(38-56)48-15-5-2-6-16-48)60-30-34-66-76(46-60)82-70-36-26-50-18-8-10-24-62(50)78(66)70;1-3-11-47(12-4-1)49-19-25-55(26-20-49)79(59-29-35-63-67-33-23-51-15-7-9-17-61(51)77(67)83-75(63)45-59)57-31-37-65-69-39-53-40-70-66-38-32-58(44-74(66)82-72(70)42-54(53)41-71(69)81-73(65)43-57)80(56-27-21-50(22-28-56)48-13-5-2-6-14-48)60-30-36-64-68-34-24-52-16-8-10-18-62(52)78(68)84-76(64)46-60;1-41(2)43-13-17-51(18-14-43)73(53-21-25-57-61-29-45-9-5-7-11-47(45)33-65(61)75-69(57)37-53)55-23-27-59-63-31-49-32-64-60-28-24-56(40-72(60)78-68(64)36-50(49)35-67(63)77-71(59)39-55)74(52-19-15-44(16-20-52)42(3)4)54-22-26-58-62-30-46-10-6-8-12-48(46)34-66(62)76-70(58)38-54/h1-46H;7-10,15-48H,1-6,11-14H2;5-42H,1-4H3
InChIKeyIJCCWUBMMKMDGX-UHFFFAOYSA-N
XLogP68.73
TPSA177.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003169.77
LogP ≤ 568.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine with MolForge

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Related Compounds

7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 158443278
N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616726
N-(4-cyclohexylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N,N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-(2-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-(3-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-(4-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-phenyl-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-phenyl-N-(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine;N-phenyl-N-(4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-20-amine
CID 159297385
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616609
8-N,23-N-bis(3-propan-2-ylphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;7-N,17-N-di(dibenzofuran-3-yl)-7-N,17-N-diphenyl-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;7-N,17-N-diphenyl-7-N,17-N-bis(4-phenylphenyl)-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;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetraphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 159801008
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N-chrysen-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170131049
9-N,23-N-diphenyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 146497283
8-N,23-N-diphenyl-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361924
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
23-N,23-N-di(dibenzofuran-2-yl)-8-N,8-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360374

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The IUPAC name of 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (CID 158714126) is 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.
What is the SMILES notation for 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The canonical SMILES for 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is CC(C)c1ccc(N(c2ccc3c(c2)oc2cc4ccccc4cc23)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)oc7cc9ccccc9cc78)ccc6c5cc4cc23)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)oc3cc5cc6oc7cc(N(c8cccc(-c9ccccc9)c8)c8ccc9c(c8)oc8ccc%10ccccc%10c89)ccc7c6cc5cc34)c3ccc4c(c3)oc3ccc5ccccc5c34)c2)cc1.c1ccc2c(c1)ccc1c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)oc4cc6cc7oc8cc(N(c9ccc(C%10CCCCC%10)cc9)c9ccc%10c(c9)oc9c%11ccccc%11ccc%109)ccc8c7cc6cc45)cc3oc21.
What is the InChIKey of 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The InChIKey is IJCCWUBMMKMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N2O4.C78H58N2O4.C72H50N2O4/c1-3-13-47(14-4-1)51-19-11-21-55(37-51)79(59-29-33-65-75(45-59)81-69-35-25-49-17-7-9-23-61(49)77(65)69)57-27-31-63-67-39-53-40-68-64-32-28-58(44-74(64)84-72(68)42-54(53)41-71(67)83-73(63)43-57)80(56-22-12-20-52(38-56)48-15-5-2-6-16-48)60-30-34-66-76(46-60)82-70-36-26-50-18-8-10-24-62(50)78(66)70;1-3-11-47(12-4-1)49-19-25-55(26-20-49)79(59-29-35-63-67-33-23-51-15-7-9-17-61(51)77(67)83-75(63)45-59)57-31-37-65-69-39-53-40-70-66-38-32-58(44-74(66)82-72(70)42-54(53)41-71(69)81-73(65)43-57)80(56-27-21-50(22-28-56)48-13-5-2-6-14-48)60-30-36-64-68-34-24-52-16-8-10-18-62(52)78(68)84-76(64)46-60;1-41(2)43-13-17-51(18-14-43)73(53-21-25-57-61-29-45-9-5-7-11-47(45)33-65(61)75-69(57)37-53)55-23-27-59-63-31-49-32-64-60-28-24-56(40-72(60)78-68(64)36-50(49)35-67(63)77-71(59)39-55)74(52-19-15-44(16-20-52)42(3)4)54-22-26-58-62-30-46-10-6-8-12-48(46)34-66(62)76-70(58)38-54/h1-46H;7-10,15-48H,1-6,11-14H2;5-42H,1-4H3.
What are the key properties of 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine has a molecular weight of 3169.77 g/mol, XLogP of 68.73, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is sourced from PubChem (CID 158714126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).