9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine

C128H106N4O4 — CID 146526356

About 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine

9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine (PubChem CID 146526356) has the molecular formula C128H106N4O4 and a molecular weight of 1764.28 g/mol. Its IUPAC name is 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine.

Molecular Properties

• Compound Name: 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
• PubChem CID: 146526356
• Molecular Formula: C128H106N4O4
• Molecular Weight: 1764.28 g/mol
• Exact Mass: 1762.82
• IUPAC Name: 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
• SMILES: Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1cc2cc4oc5cc6cc(N(c7ccccc7C)c7ccc(CC(C)(C)c8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc%10cc%11c(cc%10c9)oc9cc%10cc%12oc%13cc%14cc(N(c%15ccc(C(C)(C)C)cc%15)c%15ccc(C(C)(C)C)cc%15)ccc%14cc%13c%12cc%10cc9%11)cc8)cc7C)ccc6cc5c4cc2cc13)c1ccccc1C
• InChI: InChI=1S/C128H106N4O4/c1-76-22-16-19-25-113(76)131(114-26-20-17-23-77(114)2)103-43-31-83-61-107-111-65-90-66-112-108-62-84-32-44-104(58-88(84)70-120(108)136-124(112)74-92(90)73-123(111)135-119(107)69-87(83)57-103)132(115-27-21-18-24-78(115)3)116-53-28-80(54-79(116)4)75-128(14,15)96-39-51-100(52-40-96)130(99-49-37-95(38-50-99)127(11,12)13)102-42-30-82-60-106-110-64-89-63-109-105-59-81-29-41-101(55-85(81)67-117(105)133-121(109)71-91(89)72-122(110)134-118(106)68-86(82)56-102)129(97-45-33-93(34-46-97)125(5,6)7)98-47-35-94(36-48-98)126(8,9)10/h16-74H,75H2,1-15H3
• InChIKey: YRNXDLGXTBOGBT-UHFFFAOYSA-N
• XLogP: 37.73
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1764.28
LogP ≤ 5	37.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine?

The IUPAC name of 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine (CID 146526356) is 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine.

What is the SMILES notation for 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine?

The canonical SMILES for 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1cc2cc4oc5cc6cc(N(c7ccccc7C)c7ccc(CC(C)(C)c8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc%10cc%11c(cc%10c9)oc9cc%10cc%12oc%13cc%14cc(N(c%15ccc(C(C)(C)C)cc%15)c%15ccc(C(C)(C)C)cc%15)ccc%14cc%13c%12cc%10cc9%11)cc8)cc7C)ccc6cc5c4cc2cc13)c1ccccc1C.

What is the InChIKey of 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine?

The InChIKey is YRNXDLGXTBOGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H106N4O4/c1-76-22-16-19-25-113(76)131(114-26-20-17-23-77(114)2)103-43-31-83-61-107-111-65-90-66-112-108-62-84-32-44-104(58-88(84)70-120(108)136-124(112)74-92(90)73-123(111)135-119(107)69-87(83)57-103)132(115-27-21-18-24-78(115)3)116-53-28-80(54-79(116)4)75-128(14,15)96-39-51-100(52-40-96)130(99-49-37-95(38-50-99)127(11,12)13)102-42-30-82-60-106-110-64-89-63-109-105-59-81-29-41-101(55-85(81)67-117(105)133-121(109)71-91(89)72-122(110)134-118(106)68-86(82)56-102)129(97-45-33-93(34-46-97)125(5,6)7)98-47-35-94(36-48-98)126(8,9)10/h16-74H,75H2,1-15H3.

What are the key properties of 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine?

9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine has a molecular weight of 1764.28 g/mol, XLogP of 37.73, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,25-N-tris(4-tert-butylphenyl)-25-N-[4-[2-methyl-1-[3-methyl-4-(2-methyl-N-[25-(2-methyl-N-(2-methylphenyl)anilino)-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1(32),2,4(13),5,7,9,11,15,17,19(31),21(30),22,24,26,28-pentadecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine is sourced from PubChem (CID 146526356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).