8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C60H52N2O2 — CID 155361960

IUPAC8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3ccc2oc3cc4cc(N(c5ccccc5C)c5cc(C(C)C)ccc5C)ccc4cc3c21)c1cc(C(C)C)ccc1C
InChIInChI=1S/C60H52N2O2/c1-35(2)41-19-17-39(7)54(31-41)61(52-15-11-9-13-37(52)5)47-23-21-43-29-50-49-25-26-56-59(60(49)64-57(50)33-45(43)27-47)51-30-44-22-24-48(28-46(44)34-58(51)63-56)62(53-16-12-10-14-38(53)6)55-32-42(36(3)4)20-18-40(55)8/h9-36H,1-8H3
InChIKeyRGSRQFAIQPKLDJ-UHFFFAOYSA-N
MW833.09 g/mol
LogP18.21
Rot. Bonds8

About 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155361960) has the molecular formula C60H52N2O2 and a molecular weight of 833.09 g/mol. Its IUPAC name is 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
PubChem CID155361960
Molecular FormulaC60H52N2O2
Molecular Weight833.09 g/mol
Exact Mass832.40
IUPAC Name8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3ccc2oc3cc4cc(N(c5ccccc5C)c5cc(C(C)C)ccc5C)ccc4cc3c21)c1cc(C(C)C)ccc1C
InChIInChI=1S/C60H52N2O2/c1-35(2)41-19-17-39(7)54(31-41)61(52-15-11-9-13-37(52)5)47-23-21-43-29-50-49-25-26-56-59(60(49)64-57(50)33-45(43)27-47)51-30-44-22-24-48(28-46(44)34-58(51)63-56)62(53-16-12-10-14-38(53)6)55-32-42(36(3)4)20-18-40(55)8/h9-36H,1-8H3
InChIKeyRGSRQFAIQPKLDJ-UHFFFAOYSA-N
XLogP18.21
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.09
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine with MolForge

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Related Compounds

8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(2-methylphenyl)-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;8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-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;8-N,23-N-bis(1-methyldibenzofuran-2-yl)-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 158659558
9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-2,16-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 155360620
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362543
8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 158376880
8-N,23-N-bis(3-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361501
9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-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 155360892
9-N,23-N-bis(2,5-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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-di(dibenzofuran-4-yl)-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-di(dibenzofuran-4-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-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-di(dibenzofuran-4-yl)-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;9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-phenylphenyl)-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 165081926
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(2-methylphenyl)-8-N,23-N-bis(2-methyl-4-phenylphenyl)-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 155362655
15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-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;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-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 162101444
8-N,23-N-bis(3-propan-2-ylphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-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 155361208
8-N,23-N-diphenyl-8-N,23-N-bis(3-propan-2-ylphenyl)-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 155361924

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155361960) is 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c3ccc2oc3cc4cc(N(c5ccccc5C)c5cc(C(C)C)ccc5C)ccc4cc3c21)c1cc(C(C)C)ccc1C.
What is the InChIKey of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The InChIKey is RGSRQFAIQPKLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2O2/c1-35(2)41-19-17-39(7)54(31-41)61(52-15-11-9-13-37(52)5)47-23-21-43-29-50-49-25-26-56-59(60(49)64-57(50)33-45(43)27-47)51-30-44-22-24-48(28-46(44)34-58(51)63-56)62(53-16-12-10-14-38(53)6)55-32-42(36(3)4)20-18-40(55)8/h9-36H,1-8H3.
What are the key properties of 8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 833.09 g/mol, XLogP of 18.21, 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-methyl-5-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155361960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).