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

C56H44N2O2 — CID 155362011

IUPAC8-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
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C)cc7)c7cccc(C)c7C)ccc6cc5c3c24)c2cccc(C)c2C)cc1
InChIInChI=1S/C56H44N2O2/c1-33-13-19-43(20-14-33)57(49-11-7-9-35(3)37(49)5)45-23-17-39-29-47-53(31-41(39)27-45)59-51-25-26-52-56(55(47)51)48-30-40-18-24-46(28-42(40)32-54(48)60-52)58(44-21-15-34(2)16-22-44)50-12-8-10-36(4)38(50)6/h7-32H,1-6H3
InChIKeyKMOCFSFZKWYJBZ-UHFFFAOYSA-N
MW776.98 g/mol
LogP16.58
Rot. Bonds6

About 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

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 (PubChem CID 155362011) has the molecular formula C56H44N2O2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID155362011
Molecular FormulaC56H44N2O2
Molecular Weight776.98 g/mol
Exact Mass776.34
IUPAC Name8-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
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C)cc7)c7cccc(C)c7C)ccc6cc5c3c24)c2cccc(C)c2C)cc1
InChIInChI=1S/C56H44N2O2/c1-33-13-19-43(20-14-33)57(49-11-7-9-35(3)37(49)5)45-23-17-39-29-47-53(31-41(39)27-45)59-51-25-26-52-56(55(47)51)48-30-40-18-24-46(28-42(40)32-54(48)60-52)58(44-21-15-34(2)16-22-44)50-12-8-10-36(4)38(50)6/h7-32H,1-6H3
InChIKeyKMOCFSFZKWYJBZ-UHFFFAOYSA-N
XLogP16.58
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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 155359866
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-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 155362774
8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N,15-triphenyl-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 155363008
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
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-dinaphthalen-1-yl-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 155359646
8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-diphenyl-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-diphenyl-8-N,23-N-bis(2,3,4-trimethylphenyl)-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-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-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 162086520
8-N,23-N-dinaphthalen-1-yl-8-N,23-N-diphenyl-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 155360628
8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-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 155361500
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
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
8-N,8-N,23-N,23-N-tetrakis(3,4-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 155362022
8-N-(4-methylphenyl)-23-N-[4-(trifluoromethyl)phenyl]-8-N,23-N-bis(3,4,5-trimethylphenyl)-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 159306195

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C)cc7)c7cccc(C)c7C)ccc6cc5c3c24)c2cccc(C)c2C)cc1.
What is the InChIKey of 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?
The InChIKey is KMOCFSFZKWYJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2O2/c1-33-13-19-43(20-14-33)57(49-11-7-9-35(3)37(49)5)45-23-17-39-29-47-53(31-41(39)27-45)59-51-25-26-52-56(55(47)51)48-30-40-18-24-46(28-42(40)32-54(48)60-52)58(44-21-15-34(2)16-22-44)50-12-8-10-36(4)38(50)6/h7-32H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 776.98 g/mol, XLogP of 16.58, 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(2,3-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 is sourced from PubChem (CID 155362011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).