4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C128H80N4O6 — CID 157101335

About 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 157101335) has the molecular formula C128H80N4O6 and a molecular weight of 1770.07 g/mol. Its IUPAC name is 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• PubChem CID: 157101335
• Molecular Formula: C128H80N4O6
• Molecular Weight: 1770.07 g/mol
• Exact Mass: 1768.61
• IUPAC Name: 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• SMILES: Cc1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C)c4c3c(cc21)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1O4.c1ccc(-c2cc3c4c(cc5c6ccccc6c(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5c4c2)-c2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc2O3)cc1
• InChI: InChI=1S/C66H40N2O3.C62H40N2O3/c1-4-18-41(19-5-1)42-36-55-54-40-59(68(44-22-8-3-9-23-44)58-31-17-29-52-49-27-13-15-33-61(49)71-66(52)58)47-25-11-10-24-46(47)53(54)39-56-50-35-34-45(38-62(50)69-63(37-42)64(55)56)67(43-20-6-2-7-21-43)57-30-16-28-51-48-26-12-14-32-60(48)70-65(51)57;1-37-27-30-42-49-35-52-45-32-29-41(63(39-15-5-3-6-16-39)53-23-13-21-47-43-19-9-11-25-56(43)65-61(47)53)34-58(45)67-60-38(2)28-31-46(59(52)60)50(49)36-55(51(42)33-37)64(40-17-7-4-8-18-40)54-24-14-22-48-44-20-10-12-26-57(44)66-62(48)54/h1-40H;3-36H,1-2H3
• InChIKey: AFUIFUBNKYMOJT-UHFFFAOYSA-N
• XLogP: 37.60
• TPSA: 83.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1770.07
LogP ≤ 5	37.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The IUPAC name of 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 157101335) is 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

What is the SMILES notation for 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The canonical SMILES for 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is Cc1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C)c4c3c(cc21)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1O4.c1ccc(-c2cc3c4c(cc5c6ccccc6c(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc5c4c2)-c2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc2O3)cc1.

What is the InChIKey of 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The InChIKey is AFUIFUBNKYMOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O3.C62H40N2O3/c1-4-18-41(19-5-1)42-36-55-54-40-59(68(44-22-8-3-9-23-44)58-31-17-29-52-49-27-13-15-33-61(49)71-66(52)58)47-25-11-10-24-46(47)53(54)39-56-50-35-34-45(38-62(50)69-63(37-42)64(55)56)67(43-20-6-2-7-21-43)57-30-16-28-51-48-26-12-14-32-60(48)70-65(51)57;1-37-27-30-42-49-35-52-45-32-29-41(63(39-15-5-3-6-16-39)53-23-13-21-47-43-19-9-11-25-56(43)65-61(47)53)34-58(45)67-60-38(2)28-31-46(59(52)60)50(49)36-55(51(42)33-37)64(40-17-7-4-8-18-40)54-24-14-22-48-44-20-10-12-26-57(44)66-62(48)54/h1-40H;3-36H,1-2H3.

What are the key properties of 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 1770.07 g/mol, XLogP of 37.60, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 157101335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).