23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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

C114H90N4O4 — CID 155361829

About 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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 155361829) has the molecular formula C114H90N4O4 and a molecular weight of 1580.00 g/mol. Its IUPAC name is 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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: 155361829
• Molecular Formula: C114H90N4O4
• Molecular Weight: 1580.00 g/mol
• Exact Mass: 1578.70
• IUPAC Name: 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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: Cc1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7C)c7ccc(CCc8ccc(N(c9ccc%10cc%11c(cc%10c9)oc9cc%10oc%12cc%13cc(N(c%14ccc(C)cc%14C)c%14ccc(C)cc%14C)ccc%13cc%12c%10cc9%11)c9ccc(C)cc9C)c(C)c8)cc7C)ccc6cc5c3cc24)c2ccccc2C)c(C)c1
• InChI: InChI=1S/C114H90N4O4/c1-65-21-37-101(71(7)43-65)115(99-19-15-13-17-69(99)5)87-33-29-79-53-91-95-61-96-92-54-80-30-34-88(50-84(80)58-108(92)120-112(96)63-111(95)119-107(91)57-83(79)49-87)116(100-20-16-14-18-70(100)6)105-41-27-77(47-75(105)11)25-26-78-28-42-106(76(12)48-78)118(104-40-24-68(4)46-74(104)10)90-36-32-82-56-94-98-62-97-93-55-81-31-35-89(117(102-38-22-66(2)44-72(102)8)103-39-23-67(3)45-73(103)9)51-85(81)59-109(93)121-113(97)64-114(98)122-110(94)60-86(82)52-90/h13-24,27-64H,25-26H2,1-12H3
• InChIKey: IMGLIUZFMKGUNQ-UHFFFAOYSA-N
• XLogP: 33.26
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1580.00
LogP ≤ 5	33.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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 155361829) is 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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 Cc1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7C)c7ccc(CCc8ccc(N(c9ccc%10cc%11c(cc%10c9)oc9cc%10oc%12cc%13cc(N(c%14ccc(C)cc%14C)c%14ccc(C)cc%14C)ccc%13cc%12c%10cc9%11)c9ccc(C)cc9C)c(C)c8)cc7C)ccc6cc5c3cc24)c2ccccc2C)c(C)c1.

What is the InChIKey of 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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 IMGLIUZFMKGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H90N4O4/c1-65-21-37-101(71(7)43-65)115(99-19-15-13-17-69(99)5)87-33-29-79-53-91-95-61-96-92-54-80-30-34-88(50-84(80)58-108(92)120-112(96)63-111(95)119-107(91)57-83(79)49-87)116(100-20-16-14-18-70(100)6)105-41-27-77(47-75(105)11)25-26-78-28-42-106(76(12)48-78)118(104-40-24-68(4)46-74(104)10)90-36-32-82-56-94-98-62-97-93-55-81-31-35-89(117(102-38-22-66(2)44-72(102)8)103-39-23-67(3)45-73(103)9)51-85(81)59-109(93)121-113(97)64-114(98)122-110(94)60-86(82)52-90/h13-24,27-64H,25-26H2,1-12H3.

What are the key properties of 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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 1580.00 g/mol, XLogP of 33.26, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 23-N-[4-[2-[4-(N-[23-(2,4-dimethyl-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]-2-methylanilino)-3-methylphenyl]ethyl]-2-methylphenyl]-9-N,9-N,23-N-tris(2,4-dimethylphenyl)-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 155361829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).