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

C60H44N2O2 — CID 155363008

IUPAC8-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
SMILESCc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc(-c3ccccc3)c3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7C)ccc6cc5c3c24)c1C
InChIInChI=1S/C60H44N2O2/c1-37-16-14-24-53(39(37)3)61(46-20-10-6-11-21-46)48-28-26-42-32-51-55(34-44(42)30-48)63-57-36-50(41-18-8-5-9-19-41)60-59(58(51)57)52-33-43-27-29-49(31-45(43)35-56(52)64-60)62(47-22-12-7-13-23-47)54-25-15-17-38(2)40(54)4/h5-36H,1-4H3
InChIKeyXEEXVXNEPFAGIE-UHFFFAOYSA-N
MW825.02 g/mol
LogP17.63
Rot. Bonds7

About 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

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 (PubChem CID 155363008) has the molecular formula C60H44N2O2 and a molecular weight of 825.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID155363008
Molecular FormulaC60H44N2O2
Molecular Weight825.02 g/mol
Exact Mass824.34
IUPAC Name8-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
SMILESCc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc(-c3ccccc3)c3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7C)ccc6cc5c3c24)c1C
InChIInChI=1S/C60H44N2O2/c1-37-16-14-24-53(39(37)3)61(46-20-10-6-11-21-46)48-28-26-42-32-51-55(34-44(42)30-48)63-57-36-50(41-18-8-5-9-19-41)60-59(58(51)57)52-33-43-27-29-49(31-45(43)35-56(52)64-60)62(47-22-12-7-13-23-47)54-25-15-17-38(2)40(54)4/h5-36H,1-4H3
InChIKeyXEEXVXNEPFAGIE-UHFFFAOYSA-N
XLogP17.63
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.02
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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(2,3-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
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-15-methyl-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 155362943
2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-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-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-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-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 162126582
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
9-N,23-N-diphenyl-9-N,23-N-bis(2-phenylphenyl)-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 155361206
8-N,23-N-bis(2,6-dimethylphenyl)-15,16-dimethyl-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362989
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(2,4-diphenylphenyl)-8-N,23-N-bis(2-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 155362769
9-N,23-N-bis(2,6-dimethylphenyl)-2-methyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360211
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-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 155362515
8-N,23-N-di(dibenzofuran-4-yl)-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 153201678

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc(-c3ccccc3)c3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7C)ccc6cc5c3c24)c1C.
What is the InChIKey of 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?
The InChIKey is XEEXVXNEPFAGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2O2/c1-37-16-14-24-53(39(37)3)61(46-20-10-6-11-21-46)48-28-26-42-32-51-55(34-44(42)30-48)63-57-36-50(41-18-8-5-9-19-41)60-59(58(51)57)52-33-43-27-29-49(31-45(43)35-56(52)64-60)62(47-22-12-7-13-23-47)54-25-15-17-38(2)40(54)4/h5-36H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 825.02 g/mol, XLogP of 17.63, 7 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,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 is sourced from PubChem (CID 155363008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).