11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine

C56H42F2N2O2 — CID 155360360

IUPAC11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
SMILESCC(C)c1ccc(N(c2ccc(F)cc2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccc(F)cc3)c3ccc(C(C)C)cc3)c3ccccc3c25)cc1
InChIInChI=1S/C56H42F2N2O2/c1-33(2)35-13-21-39(22-14-35)59(41-25-17-37(57)18-26-41)49-31-53-55(45-11-7-5-9-43(45)49)47-29-52-48(30-51(47)61-53)56-46-12-8-6-10-44(46)50(32-54(56)62-52)60(42-27-19-38(58)20-28-42)40-23-15-36(16-24-40)34(3)4/h5-34H,1-4H3
InChIKeyUOUJVORBXUGQIG-UHFFFAOYSA-N
MW812.96 g/mol
LogP17.26
Rot. Bonds8

About 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine

11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine (PubChem CID 155360360) has the molecular formula C56H42F2N2O2 and a molecular weight of 812.96 g/mol. Its IUPAC name is 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine.

Molecular Properties

Compound Name11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
PubChem CID155360360
Molecular FormulaC56H42F2N2O2
Molecular Weight812.96 g/mol
Exact Mass812.32
IUPAC Name11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
SMILESCC(C)c1ccc(N(c2ccc(F)cc2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccc(F)cc3)c3ccc(C(C)C)cc3)c3ccccc3c25)cc1
InChIInChI=1S/C56H42F2N2O2/c1-33(2)35-13-21-39(22-14-35)59(41-25-17-37(57)18-26-41)49-31-53-55(45-11-7-5-9-43(45)49)47-29-52-48(30-51(47)61-53)56-46-12-8-6-10-44(46)50(32-54(56)62-52)60(42-27-19-38(58)20-28-42)40-23-15-36(16-24-40)34(3)4/h5-34H,1-4H3
InChIKeyUOUJVORBXUGQIG-UHFFFAOYSA-N
XLogP17.26
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.96
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine with MolForge

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Related Compounds

11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 148884007
10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155360417
11-N,11-N,21-N,21-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360667
11-N,25-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 155359690
10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155360889
11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360847
6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360920
11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 158515530
11-N,21-N-bis(9-methylcarbazol-3-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;11-N,21-N-diphenyl-11-N,21-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 158694655
6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 88598763
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
11-N,25-N-di(phenanthren-3-yl)-11-N,25-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 148742406

Frequently Asked Questions

What is the IUPAC name of 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
The IUPAC name of 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine (CID 155360360) is 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine.
What is the SMILES notation for 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
The canonical SMILES for 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine is CC(C)c1ccc(N(c2ccc(F)cc2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccc(F)cc3)c3ccc(C(C)C)cc3)c3ccccc3c25)cc1.
What is the InChIKey of 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
The InChIKey is UOUJVORBXUGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42F2N2O2/c1-33(2)35-13-21-39(22-14-35)59(41-25-17-37(57)18-26-41)49-31-53-55(45-11-7-5-9-43(45)49)47-29-52-48(30-51(47)61-53)56-46-12-8-6-10-44(46)50(32-54(56)62-52)60(42-27-19-38(58)20-28-42)40-23-15-36(16-24-40)34(3)4/h5-34H,1-4H3.
What are the key properties of 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine has a molecular weight of 812.96 g/mol, XLogP of 17.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N,25-N-bis(4-fluorophenyl)-11-N,25-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine is sourced from PubChem (CID 155360360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).