9-N,23-N-bis(3-methyldibenzofuran-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

C64H40N2O4 — CID 155363192

IUPAC9-N,23-N-bis(3-methyldibenzofuran-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
SMILESCc1ccc2c(oc3ccccc32)c1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1cc2c(cc13)oc1cc3cc(N(c4ccccc4)c4c(C)ccc5c4oc4ccccc45)ccc3cc12
InChIInChI=1S/C64H40N2O4/c1-37-21-27-49-47-17-9-11-19-55(47)69-63(49)61(37)65(43-13-5-3-6-14-43)45-25-23-39-31-51-53-35-60-54(36-59(53)67-57(51)33-41(39)29-45)52-32-40-24-26-46(30-42(40)34-58(52)68-60)66(44-15-7-4-8-16-44)62-38(2)22-28-50-48-18-10-12-20-56(48)70-64(50)62/h3-36H,1-2H3
InChIKeyAEHUNELOKZGUNQ-UHFFFAOYSA-N
MW901.03 g/mol
LogP19.15
Rot. Bonds6

About 9-N,23-N-bis(3-methyldibenzofuran-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,23-N-bis(3-methyldibenzofuran-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 (PubChem CID 155363192) has the molecular formula C64H40N2O4 and a molecular weight of 901.03 g/mol. Its IUPAC name is 9-N,23-N-bis(3-methyldibenzofuran-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.

Molecular Properties

Compound Name9-N,23-N-bis(3-methyldibenzofuran-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
PubChem CID155363192
Molecular FormulaC64H40N2O4
Molecular Weight901.03 g/mol
Exact Mass900.30
IUPAC Name9-N,23-N-bis(3-methyldibenzofuran-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
SMILESCc1ccc2c(oc3ccccc32)c1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1cc2c(cc13)oc1cc3cc(N(c4ccccc4)c4c(C)ccc5c4oc4ccccc45)ccc3cc12
InChIInChI=1S/C64H40N2O4/c1-37-21-27-49-47-17-9-11-19-55(47)69-63(49)61(37)65(43-13-5-3-6-14-43)45-25-23-39-31-51-53-35-60-54(36-59(53)67-57(51)33-41(39)29-45)52-32-40-24-26-46(30-42(40)34-58(52)68-60)66(44-15-7-4-8-16-44)62-38(2)22-28-50-48-18-10-12-20-56(48)70-64(50)62/h3-36H,1-2H3
InChIKeyAEHUNELOKZGUNQ-UHFFFAOYSA-N
XLogP19.15
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.03
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-N,23-N-bis(3-methyldibenzofuran-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 with MolForge

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Related Compounds

7-N,17-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-7-N,17-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 147400011
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-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 155361936
8-N,23-N-bis(2,6-dimethylphenyl)-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
CID 155362728
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
9-N,23-N-bis(9,9-dimethyl-3-propan-2-ylfluoren-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,23-N-bis(3-methyldibenzofuran-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,23-N-diphenyl-9-N,23-N-bis(3-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 158578988
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
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
8-N,23-N-di(phenanthren-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 155361439
3-methyl-N-(2-methyl-5-phenylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166031670
2-tert-butyl-9-N,23-N-bis(2,6-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
CID 155361166
N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616726

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(3-methyldibenzofuran-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?
The IUPAC name of 9-N,23-N-bis(3-methyldibenzofuran-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 (CID 155363192) is 9-N,23-N-bis(3-methyldibenzofuran-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.
What is the SMILES notation for 9-N,23-N-bis(3-methyldibenzofuran-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?
The canonical SMILES for 9-N,23-N-bis(3-methyldibenzofuran-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 is Cc1ccc2c(oc3ccccc32)c1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1cc2c(cc13)oc1cc3cc(N(c4ccccc4)c4c(C)ccc5c4oc4ccccc45)ccc3cc12.
What is the InChIKey of 9-N,23-N-bis(3-methyldibenzofuran-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?
The InChIKey is AEHUNELOKZGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O4/c1-37-21-27-49-47-17-9-11-19-55(47)69-63(49)61(37)65(43-13-5-3-6-14-43)45-25-23-39-31-51-53-35-60-54(36-59(53)67-57(51)33-41(39)29-45)52-32-40-24-26-46(30-42(40)34-58(52)68-60)66(44-15-7-4-8-16-44)62-38(2)22-28-50-48-18-10-12-20-56(48)70-64(50)62/h3-36H,1-2H3.
What are the key properties of 9-N,23-N-bis(3-methyldibenzofuran-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,23-N-bis(3-methyldibenzofuran-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 has a molecular weight of 901.03 g/mol, XLogP of 19.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(3-methyldibenzofuran-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 is sourced from PubChem (CID 155363192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).