15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine

C256H197N9O8 — CID 163780592

About 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine

15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine (PubChem CID 163780592) has the molecular formula C256H197N9O8 and a molecular weight of 3527.45 g/mol. Its IUPAC name is 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine.

Molecular Properties

• Compound Name: 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
• PubChem CID: 163780592
• Molecular Formula: C256H197N9O8
• Molecular Weight: 3527.45 g/mol
• Exact Mass: 3524.53
• IUPAC Name: 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)c5c(oc6ccccc65)c4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4oc4ccccc43)cc2)cc1.Cc1ccc(C)c(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(N(c4ccccc4)c4ccccc4)c4c(oc5ccccc54)c3-c3c2cc(N(c2ccccc2)c2ccccc2)c2c3oc3ccccc32)c1.Cc1cccc(-n2c3ccccc3c3cc(C4(c5cc(C)ccc5C)c5cc(N(c6ccccc6)c6ccccc6)c6oc7ccccc7c6c5-c5c4cc(N(c4ccccc4)c4ccccc4)c4oc6ccccc6c54)ccc32)c1
• InChI: InChI=1S/C105H93N3O4.C76H53N3O2.C75H51N3O2/c1-100(2,3)64-38-40-69(41-39-64)105(70-50-60-73(61-51-70)106(71-52-42-65(43-53-71)101(4,5)6)72-54-44-66(45-55-72)102(7,8)9)82-62-86(107(74-56-46-67(47-57-74)103(10,11)12)84-32-24-30-78-76-26-16-20-34-88(76)109-96(78)84)92-80-28-18-22-36-90(80)111-98(92)94(82)95-83(105)63-87(93-81-29-19-23-37-91(81)112-99(93)95)108(75-58-48-68(49-59-75)104(13,14)15)85-33-25-31-79-77-27-17-21-35-89(77)110-97(79)85;1-48-23-22-32-56(43-48)79-64-36-19-16-33-57(64)60-45-51(41-42-65(60)79)76(61-44-49(2)39-40-50(61)3)62-46-66(77(52-24-8-4-9-25-52)53-26-10-5-11-27-53)74-70(58-34-17-20-37-68(58)80-74)72(62)73-63(76)47-67(75-71(73)59-35-18-21-38-69(59)81-75)78(54-28-12-6-13-29-54)55-30-14-7-15-31-55;1-48-39-40-49(2)60(45-48)75(50-41-43-55(44-42-50)78-63-35-19-15-31-56(63)57-32-16-20-36-64(57)78)61-46-65(76(51-23-7-3-8-24-51)52-25-9-4-10-26-52)69-58-33-17-21-37-67(58)79-73(69)71(61)72-62(75)47-66(70-59-34-18-22-38-68(59)80-74(70)72)77(53-27-11-5-12-28-53)54-29-13-6-14-30-54/h16-63H,1-15H3;4-47H,1-3H3;3-47H,1-2H3
• InChIKey: MOGIYQJSAMTRBB-UHFFFAOYSA-N
• XLogP: 71.86
• TPSA: 137.66 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3527.45
LogP ≤ 5	71.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?

The IUPAC name of 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine (CID 163780592) is 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine.

What is the SMILES notation for 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?

The canonical SMILES for 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5ccccc56)c5c(oc6ccccc65)c4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3cccc5c3oc3ccccc35)c3c4oc4ccccc43)cc2)cc1.Cc1ccc(C)c(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc(N(c4ccccc4)c4ccccc4)c4c(oc5ccccc54)c3-c3c2cc(N(c2ccccc2)c2ccccc2)c2c3oc3ccccc32)c1.Cc1cccc(-n2c3ccccc3c3cc(C4(c5cc(C)ccc5C)c5cc(N(c6ccccc6)c6ccccc6)c6oc7ccccc7c6c5-c5c4cc(N(c4ccccc4)c4ccccc4)c4oc6ccccc6c54)ccc32)c1.

What is the InChIKey of 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?

The InChIKey is MOGIYQJSAMTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H93N3O4.C76H53N3O2.C75H51N3O2/c1-100(2,3)64-38-40-69(41-39-64)105(70-50-60-73(61-51-70)106(71-52-42-65(43-53-71)101(4,5)6)72-54-44-66(45-55-72)102(7,8)9)82-62-86(107(74-56-46-67(47-57-74)103(10,11)12)84-32-24-30-78-76-26-16-20-34-88(76)109-96(78)84)92-80-28-18-22-36-90(80)111-98(92)94(82)95-83(105)63-87(93-81-29-19-23-37-91(81)112-99(93)95)108(75-58-48-68(49-59-75)104(13,14)15)85-33-25-31-79-77-27-17-21-35-89(77)110-97(79)85;1-48-23-22-32-56(43-48)79-64-36-19-16-33-57(64)60-45-51(41-42-65(60)79)76(61-44-49(2)39-40-50(61)3)62-46-66(77(52-24-8-4-9-25-52)53-26-10-5-11-27-53)74-70(58-34-17-20-37-68(58)80-74)72(62)73-63(76)47-67(75-71(73)59-35-18-21-38-69(59)81-75)78(54-28-12-6-13-29-54)55-30-14-7-15-31-55;1-48-39-40-49(2)60(45-48)75(50-41-43-55(44-42-50)78-63-35-19-15-31-56(63)57-32-16-20-36-64(57)78)61-46-65(76(51-23-7-3-8-24-51)52-25-9-4-10-26-52)69-58-33-17-21-37-67(58)79-73(69)71(61)72-62(75)47-66(70-59-34-18-22-38-68(59)80-74(70)72)77(53-27-11-5-12-28-53)54-29-13-6-14-30-54/h16-63H,1-15H3;4-47H,1-3H3;3-47H,1-2H3.

What are the key properties of 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine?

15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine has a molecular weight of 3527.45 g/mol, XLogP of 71.86, 29 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine is sourced from PubChem (CID 163780592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).