8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine

C58H50N2O2 — CID 163646874

IUPAC8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5c(cc4c2c13)C=CC(N(c1ccccc1C)c1ccccc1C(C)C)C5)c1ccccc1C(C)C
InChIInChI=1S/C58H50N2O2/c1-35(2)45-17-9-13-21-51(45)59(49-19-11-7-15-37(49)5)43-25-23-39-31-47-55(33-41(39)29-43)61-53-27-28-54-58(57(47)53)48-32-40-24-26-44(30-42(40)34-56(48)62-54)60(50-20-12-8-16-38(50)6)52-22-14-10-18-46(52)36(3)4/h7-29,31-36,44H,30H2,1-6H3
InChIKeyIIZCDFWNOHGHQZ-UHFFFAOYSA-N
MW807.05 g/mol
LogP16.75
Rot. Bonds8

About 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine

8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine (PubChem CID 163646874) has the molecular formula C58H50N2O2 and a molecular weight of 807.05 g/mol. Its IUPAC name is 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine
PubChem CID163646874
Molecular FormulaC58H50N2O2
Molecular Weight807.05 g/mol
Exact Mass806.39
IUPAC Name8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5c(cc4c2c13)C=CC(N(c1ccccc1C)c1ccccc1C(C)C)C5)c1ccccc1C(C)C
InChIInChI=1S/C58H50N2O2/c1-35(2)45-17-9-13-21-51(45)59(49-19-11-7-15-37(49)5)43-25-23-39-31-47-55(33-41(39)29-43)61-53-27-28-54-58(57(47)53)48-32-40-24-26-44(30-42(40)34-56(48)62-54)60(50-20-12-8-16-38(50)6)52-22-14-10-18-46(52)36(3)4/h7-29,31-36,44H,30H2,1-6H3
InChIKeyIIZCDFWNOHGHQZ-UHFFFAOYSA-N
XLogP16.75
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.05
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine (CID 163646874) is 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5c(cc4c2c13)C=CC(N(c1ccccc1C)c1ccccc1C(C)C)C5)c1ccccc1C(C)C.
What is the InChIKey of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine?
The InChIKey is IIZCDFWNOHGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N2O2/c1-35(2)45-17-9-13-21-51(45)59(49-19-11-7-15-37(49)5)43-25-23-39-31-47-55(33-41(39)29-43)61-53-27-28-54-58(57(47)53)48-32-40-24-26-44(30-42(40)34-56(48)62-54)60(50-20-12-8-16-38(50)6)52-22-14-10-18-46(52)36(3)4/h7-29,31-36,44H,30H2,1-6H3.
What are the key properties of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine?
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine has a molecular weight of 807.05 g/mol, XLogP of 16.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine is sourced from PubChem (CID 163646874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).