8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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

C221H162N6O12 — CID 159776032

About 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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 159776032) has the molecular formula C221H162N6O12 and a molecular weight of 3093.76 g/mol. Its IUPAC name is 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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 Name: 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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: 159776032
• Molecular Formula: C221H162N6O12
• Molecular Weight: 3093.76 g/mol
• Exact Mass: 3091.23
• IUPAC Name: 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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
• SMILES: Cc1cccc(C)c1N(c1ccc2cc3c(cc2c1)oc1c3cc(C)c2c3cc4ccc(N(c5c(C)cccc5C)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc4cc3oc12)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1cccc(C)c1N(c1ccc2cc3c(cc2c1)oc1c3cc(C)c2c3cc4ccc(N(c5c(C)cccc5C)c5cccc6c5oc5ccccc56)cc4cc3oc12)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3cc(C)c2c3cc4ccc(N(c5ccccc5C)c5c(C)ccc6c5oc5c(-c7ccccc7)cccc56)cc4cc3oc12)c1c(C)ccc2c1oc1c(-c3ccccc3)cccc12
• InChI: InChI=1S/C79H54N2O4.C75H62N2O4.C67H46N2O4/c1-45-18-12-14-28-67(45)80(72-47(3)30-36-62-60-26-16-24-58(74(60)84-76(62)72)50-20-8-6-9-21-50)56-34-32-52-41-64-65-38-49(5)71-66-42-53-33-35-57(40-55(53)44-70(66)83-79(71)78(65)82-69(64)43-54(52)39-56)81(68-29-15-13-19-46(68)2)73-48(4)31-37-63-61-27-17-25-59(75(61)85-77(63)73)51-22-10-7-11-23-51;1-41-18-12-19-42(2)66(41)76(61-28-16-24-54-52-22-14-26-59(74(6,7)8)68(52)80-70(54)61)50-32-30-46-37-56-57-34-45(5)65-58-38-47-31-33-51(36-49(47)40-64(58)79-73(65)72(57)78-63(56)39-48(46)35-50)77(67-43(3)20-13-21-44(67)4)62-29-17-25-55-53-23-15-27-60(75(9,10)11)69(53)81-71(55)62;1-37-14-10-15-38(2)62(37)68(55-22-12-20-50-48-18-6-8-24-57(48)70-64(50)55)46-28-26-42-33-52-53-30-41(5)61-54-34-43-27-29-47(32-45(43)36-60(54)73-67(61)66(53)72-59(52)35-44(42)31-46)69(63-39(3)16-11-17-40(63)4)56-23-13-21-51-49-19-7-9-25-58(49)71-65(51)56/h6-44H,1-5H3;12-40H,1-11H3;6-36H,1-5H3
• InChIKey: NGTDFRWBVNKVTC-UHFFFAOYSA-N
• XLogP: 66.15
• TPSA: 177.12 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3093.76
LogP ≤ 5	66.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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 159776032) is 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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 Cc1cccc(C)c1N(c1ccc2cc3c(cc2c1)oc1c3cc(C)c2c3cc4ccc(N(c5c(C)cccc5C)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc4cc3oc12)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1cccc(C)c1N(c1ccc2cc3c(cc2c1)oc1c3cc(C)c2c3cc4ccc(N(c5c(C)cccc5C)c5cccc6c5oc5ccccc56)cc4cc3oc12)c1cccc2c1oc1ccccc12.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3cc(C)c2c3cc4ccc(N(c5ccccc5C)c5c(C)ccc6c5oc5c(-c7ccccc7)cccc56)cc4cc3oc12)c1c(C)ccc2c1oc1c(-c3ccccc3)cccc12.

What is the InChIKey of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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 NGTDFRWBVNKVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54N2O4.C75H62N2O4.C67H46N2O4/c1-45-18-12-14-28-67(45)80(72-47(3)30-36-62-60-26-16-24-58(74(60)84-76(62)72)50-20-8-6-9-21-50)56-34-32-52-41-64-65-38-49(5)71-66-42-53-33-35-57(40-55(53)44-70(66)83-79(71)78(65)82-69(64)43-54(52)39-56)81(68-29-15-13-19-46(68)2)73-48(4)31-37-63-61-27-17-25-59(75(61)85-77(63)73)51-22-10-7-11-23-51;1-41-18-12-19-42(2)66(41)76(61-28-16-24-54-52-22-14-26-59(74(6,7)8)68(52)80-70(54)61)50-32-30-46-37-56-57-34-45(5)65-58-38-47-31-33-51(36-49(47)40-64(58)79-73(65)72(57)78-63(56)39-48(46)35-50)77(67-43(3)20-13-21-44(67)4)62-29-17-25-55-53-23-15-27-60(75(9,10)11)69(53)81-71(55)62;1-37-14-10-15-38(2)62(37)68(55-22-12-20-50-48-18-6-8-24-57(48)70-64(50)55)46-28-26-42-33-52-53-30-41(5)61-54-34-43-27-29-47(32-45(43)36-60(54)73-67(61)66(53)72-59(52)35-44(42)31-46)69(63-39(3)16-11-17-40(63)4)56-23-13-21-51-49-19-7-9-25-58(49)71-65(51)56/h6-44H,1-5H3;12-40H,1-11H3;6-36H,1-5H3.

What are the key properties of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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 3093.76 g/mol, XLogP of 66.15, 20 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(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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-di(dibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-15-methyl-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;15-methyl-8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-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 159776032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).