23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C110H82N4O4 — CID 155361127

About 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 155361127) has the molecular formula C110H82N4O4 and a molecular weight of 1523.89 g/mol. Its IUPAC name is 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 155361127
• Molecular Formula: C110H82N4O4
• Molecular Weight: 1523.89 g/mol
• Exact Mass: 1522.63
• IUPAC Name: 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1cc2oc4cc5cc(N(c6ccccc6C)c6ccc(CC(C)c7ccc(N(c8ccccc8)c8ccc9cc%10c(cc9c8)oc8cc9oc%11cc%12cc(N(c%13ccccc%13)c%13ccc(C(C)C)cc%13)ccc%12cc%11c9cc8%10)cc7)cc6C)ccc5cc4c2cc13)c1ccccc1C
• InChI: InChI=1S/C110H82N4O4/c1-66(2)73-31-39-85(40-32-73)111(83-23-10-8-11-24-83)87-43-35-75-54-91-95-62-96-92-55-76-36-44-88(51-80(76)59-104(92)116-108(96)64-107(95)115-103(91)58-79(75)50-87)112(84-25-12-9-13-26-84)86-41-33-74(34-42-86)70(6)48-72-30-47-102(71(7)49-72)114(101-29-19-16-22-69(101)5)90-46-38-78-57-94-98-63-97-93-56-77-37-45-89(113(99-27-17-14-20-67(99)3)100-28-18-15-21-68(100)4)52-81(77)60-105(93)117-109(97)65-110(98)118-106(94)61-82(78)53-90/h8-47,49-66,70H,48H2,1-7H3
• InChIKey: JPFXOAJJGNINHL-UHFFFAOYSA-N
• XLogP: 32.48
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1523.89
LogP ≤ 5	32.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 155361127) is 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1cc2oc4cc5cc(N(c6ccccc6C)c6ccc(CC(C)c7ccc(N(c8ccccc8)c8ccc9cc%10c(cc9c8)oc8cc9oc%11cc%12cc(N(c%13ccccc%13)c%13ccc(C(C)C)cc%13)ccc%12cc%11c9cc8%10)cc7)cc6C)ccc5cc4c2cc13)c1ccccc1C.

What is the InChIKey of 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is JPFXOAJJGNINHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H82N4O4/c1-66(2)73-31-39-85(40-32-73)111(83-23-10-8-11-24-83)87-43-35-75-54-91-95-62-96-92-55-76-36-44-88(51-80(76)59-104(92)116-108(96)64-107(95)115-103(91)58-79(75)50-87)112(84-25-12-9-13-26-84)86-41-33-74(34-42-86)70(6)48-72-30-47-102(71(7)49-72)114(101-29-19-16-22-69(101)5)90-46-38-78-57-94-98-63-97-93-56-77-37-45-89(113(99-27-17-14-20-67(99)3)100-28-18-15-21-68(100)4)52-81(77)60-105(93)117-109(97)65-110(98)118-106(94)61-82(78)53-90/h8-47,49-66,70H,48H2,1-7H3.

What are the key properties of 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 1523.89 g/mol, XLogP of 32.48, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 23-N-[4-[1-[3-methyl-4-(2-methyl-N-[23-(2-methyl-N-(2-methylphenyl)anilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl]anilino)phenyl]propan-2-yl]phenyl]-9-N,23-N-diphenyl-9-N-(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155361127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).