8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine

C58H48N2O2 — CID 155360687

IUPAC8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)oc2c(C)c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)ccc7C)ccc6cc5c3c24)c2cc(C)ccc2C)cc1
InChIInChI=1S/C58H48N2O2/c1-33-11-19-45(20-12-33)59(51-25-35(3)9-15-37(51)5)47-23-17-41-29-49-53(31-43(41)27-47)61-57-39(7)40(8)58-56(55(49)57)50-30-42-18-24-48(28-44(42)32-54(50)62-58)60(46-21-13-34(2)14-22-46)52-26-36(4)10-16-38(52)6/h9-32H,1-8H3
InChIKeyBDGHBEAJFQRPFZ-UHFFFAOYSA-N
MW805.03 g/mol
LogP17.20
Rot. Bonds6

About 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine

8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 155360687) has the molecular formula C58H48N2O2 and a molecular weight of 805.03 g/mol. Its IUPAC name is 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine
PubChem CID155360687
Molecular FormulaC58H48N2O2
Molecular Weight805.03 g/mol
Exact Mass804.37
IUPAC Name8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)oc2c(C)c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)ccc7C)ccc6cc5c3c24)c2cc(C)ccc2C)cc1
InChIInChI=1S/C58H48N2O2/c1-33-11-19-45(20-12-33)59(51-25-35(3)9-15-37(51)5)47-23-17-41-29-49-53(31-43(41)27-47)61-57-39(7)40(8)58-56(55(49)57)50-30-42-18-24-48(28-44(42)32-54(50)62-58)60(46-21-13-34(2)14-22-46)52-26-36(4)10-16-38(52)6/h9-32H,1-8H3
InChIKeyBDGHBEAJFQRPFZ-UHFFFAOYSA-N
XLogP17.20
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.03
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine with MolForge

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Related Compounds

9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-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 155360913
8-N,8-N,23-N,23-N-tetrakis(2,5-dimethylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine
CID 155362025
9-N,23-N-bis(2,5-dimethylphenyl)-9-N,23-N-diphenyl-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 155359583
2,16-dimethyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-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 155362157
8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine
CID 155362011
2,16-dimethyl-9-N,9-N,23-N,23-N-tetraphenyl-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 155361604
2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360712
8,23-bis(N-(2,5-dimethylphenyl)-2-methylanilino)-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),20,22,24,26-tridecaene-15-carbonitrile
CID 155362341
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(2,5-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 159152410
8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 148580448
9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-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 146497288
9-N,23-N-bis(2,5-dimethylphenyl)-9-N,23-N-bis(2-methylphenyl)-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;9-N,23-N-bis(2,5-dimethylphenyl)-9-N,23-N-bis(4-methylphenyl)-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;9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methylphenyl)-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;9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(4-methylphenyl)-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;9-N,23-N-bis(3,4-dimethylphenyl)-9-N,23-N-bis(2-methylphenyl)-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 160590277

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine (CID 155360687) is 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine is Cc1ccc(N(c2ccc3cc4c(cc3c2)oc2c(C)c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)ccc7C)ccc6cc5c3c24)c2cc(C)ccc2C)cc1.
What is the InChIKey of 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine?
The InChIKey is BDGHBEAJFQRPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2O2/c1-33-11-19-45(20-12-33)59(51-25-35(3)9-15-37(51)5)47-23-17-41-29-49-53(31-43(41)27-47)61-57-39(7)40(8)58-56(55(49)57)50-30-42-18-24-48(28-44(42)32-54(50)62-58)60(46-21-13-34(2)14-22-46)52-26-36(4)10-16-38(52)6/h9-32H,1-8H3.
What are the key properties of 8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine?
8-N,23-N-bis(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 805.03 g/mol, XLogP of 17.20, 6 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(2,5-dimethylphenyl)-15,16-dimethyl-8-N,23-N-bis(4-methylphenyl)-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),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155360687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).