8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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

C232H192N8O8 — CID 161450698

IUPAC8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5cc4oc32)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cc5cc4oc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5cc4oc32)cc1.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3ccc2c3cc4ccc(N(c5ccccc5C)c5ccccc5C)cc4cc3oc21)c1ccccc1C
InChIInChI=1S/C66H64N2O2.C58H48N2O2.2C54H40N2O2/c1-63(2,3)45-15-25-49(26-16-45)67(50-27-17-46(18-28-50)64(4,5)6)53-23-13-41-37-57-55-33-34-56-58-38-42-14-24-54(36-44(42)40-60(58)70-62(56)61(55)69-59(57)39-43(41)35-53)68(51-29-19-47(20-30-51)65(7,8)9)52-31-21-48(22-32-52)66(10,11)12;1-57(2,3)41-19-25-45(26-20-41)59(43-13-9-7-10-14-43)47-23-17-37-33-51-49-29-30-50-52-34-38-18-24-48(32-40(38)36-54(52)62-56(50)55(49)61-53(51)35-39(37)31-47)60(44-15-11-8-12-16-44)46-27-21-42(22-28-46)58(4,5)6;1-33-5-15-41(16-6-33)55(42-17-7-34(2)8-18-42)45-23-13-37-29-49-47-25-26-48-50-30-38-14-24-46(56(43-19-9-35(3)10-20-43)44-21-11-36(4)12-22-44)28-40(38)32-52(50)58-54(48)53(47)57-51(49)31-39(37)27-45;1-33-13-5-9-17-47(33)55(48-18-10-6-14-34(48)2)41-23-21-37-29-45-43-25-26-44-46-30-38-22-24-42(56(49-19-11-7-15-35(49)3)50-20-12-8-16-36(50)4)28-40(38)32-52(46)58-54(44)53(43)57-51(45)31-39(37)27-41/h13-40H,1-12H3;7-36H,1-6H3;2*5-32H,1-4H3
InChIKeyWAMKFHAVYDPDBX-UHFFFAOYSA-N
MW3220.14 g/mol
LogP69.18
Rot. Bonds24

About 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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 (PubChem CID 161450698) has the molecular formula C232H192N8O8 and a molecular weight of 3220.14 g/mol. Its IUPAC name is 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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.

Molecular Properties

Compound Name8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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
PubChem CID161450698
Molecular FormulaC232H192N8O8
Molecular Weight3220.14 g/mol
Exact Mass3217.49
IUPAC Name8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5cc4oc32)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cc5cc4oc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5cc4oc32)cc1.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3ccc2c3cc4ccc(N(c5ccccc5C)c5ccccc5C)cc4cc3oc21)c1ccccc1C
InChIInChI=1S/C66H64N2O2.C58H48N2O2.2C54H40N2O2/c1-63(2,3)45-15-25-49(26-16-45)67(50-27-17-46(18-28-50)64(4,5)6)53-23-13-41-37-57-55-33-34-56-58-38-42-14-24-54(36-44(42)40-60(58)70-62(56)61(55)69-59(57)39-43(41)35-53)68(51-29-19-47(20-30-51)65(7,8)9)52-31-21-48(22-32-52)66(10,11)12;1-57(2,3)41-19-25-45(26-20-41)59(43-13-9-7-10-14-43)47-23-17-37-33-51-49-29-30-50-52-34-38-18-24-48(32-40(38)36-54(52)62-56(50)55(49)61-53(51)35-39(37)31-47)60(44-15-11-8-12-16-44)46-27-21-42(22-28-46)58(4,5)6;1-33-5-15-41(16-6-33)55(42-17-7-34(2)8-18-42)45-23-13-37-29-49-47-25-26-48-50-30-38-14-24-46(56(43-19-9-35(3)10-20-43)44-21-11-36(4)12-22-44)28-40(38)32-52(50)58-54(48)53(47)57-51(49)31-39(37)27-45;1-33-13-5-9-17-47(33)55(48-18-10-6-14-34(48)2)41-23-21-37-29-45-43-25-26-44-46-30-38-22-24-42(56(49-19-11-7-15-35(49)3)50-20-12-8-16-36(50)4)28-40(38)32-52(46)58-54(44)53(43)57-51(45)31-39(37)27-41/h13-40H,1-12H3;7-36H,1-6H3;2*5-32H,1-4H3
InChIKeyWAMKFHAVYDPDBX-UHFFFAOYSA-N
XLogP69.18
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms248
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003220.14
LogP ≤ 569.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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?
The IUPAC name of 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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 161450698) is 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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.
What is the SMILES notation for 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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?
The canonical SMILES for 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5cc4oc32)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cc5cc4oc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5cc4oc32)cc1.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3ccc2c3cc4ccc(N(c5ccccc5C)c5ccccc5C)cc4cc3oc21)c1ccccc1C.
What is the InChIKey of 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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?
The InChIKey is WAMKFHAVYDPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H64N2O2.C58H48N2O2.2C54H40N2O2/c1-63(2,3)45-15-25-49(26-16-45)67(50-27-17-46(18-28-50)64(4,5)6)53-23-13-41-37-57-55-33-34-56-58-38-42-14-24-54(36-44(42)40-60(58)70-62(56)61(55)69-59(57)39-43(41)35-53)68(51-29-19-47(20-30-51)65(7,8)9)52-31-21-48(22-32-52)66(10,11)12;1-57(2,3)41-19-25-45(26-20-41)59(43-13-9-7-10-14-43)47-23-17-37-33-51-49-29-30-50-52-34-38-18-24-48(32-40(38)36-54(52)62-56(50)55(49)61-53(51)35-39(37)31-47)60(44-15-11-8-12-16-44)46-27-21-42(22-28-46)58(4,5)6;1-33-5-15-41(16-6-33)55(42-17-7-34(2)8-18-42)45-23-13-37-29-49-47-25-26-48-50-30-38-14-24-46(56(43-19-9-35(3)10-20-43)44-21-11-36(4)12-22-44)28-40(38)32-52(50)58-54(48)53(47)57-51(49)31-39(37)27-45;1-33-13-5-9-17-47(33)55(48-18-10-6-14-34(48)2)41-23-21-37-29-45-43-25-26-44-46-30-38-22-24-42(56(49-19-11-7-15-35(49)3)50-20-12-8-16-36(50)4)28-40(38)32-52(46)58-54(44)53(43)57-51(45)31-39(37)27-41/h13-40H,1-12H3;7-36H,1-6H3;2*5-32H,1-4H3.
What are the key properties of 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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 has a molecular weight of 3220.14 g/mol, XLogP of 69.18, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-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-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-tetrakis(2-methylphenyl)-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-tetrakis(4-methylphenyl)-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 is sourced from PubChem (CID 161450698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).