8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C238H162N12O6 — CID 161147757

About 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 161147757) has the molecular formula C238H162N12O6 and a molecular weight of 3285.99 g/mol. Its IUPAC name is 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 161147757
• Molecular Formula: C238H162N12O6
• Molecular Weight: 3285.99 g/mol
• Exact Mass: 3283.27
• IUPAC Name: 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: Cc1ccc2c(oc3c(-c4ccccc4)cccc32)c1N(c1ccccc1)c1ccc2c3cccc4c5cc6c(cc5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4c(C)ccc5c4oc4c(-c7ccccc7)cccc45)cc3n6c21.Cc1ccc2c(oc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1ccc2c3cccc4c5cc6c(cc5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4c(C)ccc5c4oc4c(C(C)(C)C)cccc45)cc3n6c21.Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6c(C)ccc7c6oc6c(-c9ccccc9C)cccc67)cc5n8c43)c(C)ccc12
• InChI: InChI=1S/C82H54N4O2.C80H50N4O2.C76H58N4O2/c1-47-19-11-13-25-55(47)63-31-17-33-65-67-39-35-49(3)75(81(67)87-79(63)65)83(51-21-7-5-8-22-51)53-37-41-57-59-27-15-29-61-69-46-74-70(45-73(69)85(77(59)61)71(57)43-53)62-30-16-28-60-58-42-38-54(44-72(58)86(74)78(60)62)84(52-23-9-6-10-24-52)76-50(4)36-40-68-66-34-18-32-64(80(66)88-82(68)76)56-26-14-12-20-48(56)2;1-47-35-39-65-63-33-15-27-55(49-19-7-3-8-20-49)77(63)85-79(65)73(47)81(51-23-11-5-12-24-51)53-37-41-57-59-29-17-31-61-67-46-72-68(45-71(67)83(75(59)61)69(57)43-53)62-32-18-30-60-58-42-38-54(44-70(58)84(72)76(60)62)82(52-25-13-6-14-26-52)74-48(2)36-40-66-64-34-16-28-56(78(64)86-80(66)74)50-21-9-4-10-22-50;1-43-31-35-57-55-27-17-29-61(75(3,4)5)71(55)81-73(57)67(43)77(45-19-11-9-12-20-45)47-33-37-49-51-23-15-25-53-59-42-66-60(41-65(59)79(69(51)53)63(49)39-47)54-26-16-24-52-50-38-34-48(40-64(50)80(66)70(52)54)78(46-21-13-10-14-22-46)68-44(2)32-36-58-56-28-18-30-62(76(6,7)8)72(56)82-74(58)68/h5-46H,1-4H3;3-46H,1-2H3;9-42H,1-8H3
• InChIKey: UOGWOZBPLAFDSP-UHFFFAOYSA-N
• XLogP: 67.91
• TPSA: 124.74 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3285.99
LogP ≤ 5	67.91
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-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 161147757) is 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is Cc1ccc2c(oc3c(-c4ccccc4)cccc32)c1N(c1ccccc1)c1ccc2c3cccc4c5cc6c(cc5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4c(C)ccc5c4oc4c(-c7ccccc7)cccc45)cc3n6c21.Cc1ccc2c(oc3c(C(C)(C)C)cccc32)c1N(c1ccccc1)c1ccc2c3cccc4c5cc6c(cc5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4c(C)ccc5c4oc4c(C(C)(C)C)cccc45)cc3n6c21.Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6c(C)ccc7c6oc6c(-c9ccccc9C)cccc67)cc5n8c43)c(C)ccc12.

What is the InChIKey of 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is UOGWOZBPLAFDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H54N4O2.C80H50N4O2.C76H58N4O2/c1-47-19-11-13-25-55(47)63-31-17-33-65-67-39-35-49(3)75(81(67)87-79(63)65)83(51-21-7-5-8-22-51)53-37-41-57-59-27-15-29-61-69-46-74-70(45-73(69)85(77(59)61)71(57)43-53)62-30-16-28-60-58-42-38-54(44-72(58)86(74)78(60)62)84(52-23-9-6-10-24-52)76-50(4)36-40-68-66-34-18-32-64(80(66)88-82(68)76)56-26-14-12-20-48(56)2;1-47-35-39-65-63-33-15-27-55(49-19-7-3-8-20-49)77(63)85-79(65)73(47)81(51-23-11-5-12-24-51)53-37-41-57-59-29-17-31-61-67-46-72-68(45-71(67)83(75(59)61)69(57)43-53)62-32-18-30-60-58-42-38-54(44-70(58)84(72)76(60)62)82(52-25-13-6-14-26-52)74-48(2)36-40-66-64-34-16-28-56(78(64)86-80(66)74)50-21-9-4-10-22-50;1-43-31-35-57-55-27-17-29-61(75(3,4)5)71(55)81-73(57)67(43)77(45-19-11-9-12-20-45)47-33-37-49-51-23-15-25-53-59-42-66-60(41-65(59)79(69(51)53)63(49)39-47)54-26-16-24-52-50-38-34-48(40-64(50)80(66)70(52)54)78(46-21-13-10-14-22-46)68-44(2)32-36-58-56-28-18-30-62(76(6,7)8)72(56)82-74(58)68/h5-46H,1-4H3;3-46H,1-2H3;9-42H,1-8H3.

What are the key properties of 8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N,23-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 3285.99 g/mol, XLogP of 67.91, 22 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-butyl-3-methyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis[3-methyl-6-(2-methylphenyl)dibenzofuran-4-yl]-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 161147757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).