4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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

C150H93FN4O5 — CID 159435676

About 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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 159435676) has the molecular formula C150H93FN4O5 and a molecular weight of 2050.41 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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: 159435676
• Molecular Formula: C150H93FN4O5
• Molecular Weight: 2050.41 g/mol
• Exact Mass: 2048.71
• IUPAC Name: 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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: Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1-c1ccccc1)c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)cc1O4.c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2O5)cc1
• InChI: InChI=1S/C78H49FN2O2.C72H44N2O3/c79-68-46-54(50-23-5-1-6-24-50)45-64(53-29-11-4-12-30-53)77(68)81(70-39-19-16-32-57(70)52-27-9-3-10-28-52)72-49-66-62-36-22-42-74-76(62)67(48-65(66)58-33-13-14-34-59(58)72)61-44-43-55(47-75(61)82-74)80(69-38-18-15-31-56(69)51-25-7-2-8-26-51)71-40-21-37-63-60-35-17-20-41-73(60)83-78(63)71;1-3-19-45(20-4-1)49-23-9-13-31-62(49)73(64-33-17-30-57-53-27-11-16-35-67(53)77-72(57)64)48-37-39-55-61-43-58-51-25-7-8-26-52(51)65(44-59(58)56-29-18-36-69(71(56)61)76-70(55)42-48)74(63-32-14-10-24-50(63)46-21-5-2-6-22-46)47-38-40-68-60(41-47)54-28-12-15-34-66(54)75-68/h1-49H;1-44H
• InChIKey: LRNXDGQUPJASNX-UHFFFAOYSA-N
• XLogP: 43.56
• TPSA: 70.84 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2050.41
LogP ≤ 5	43.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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 159435676) is 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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 Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1-c1ccccc1)c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccc2-c2ccccc2)c2cccc3c2oc2ccccc23)cc1O4.c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2O5)cc1.

What is the InChIKey of 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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 LRNXDGQUPJASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H49FN2O2.C72H44N2O3/c79-68-46-54(50-23-5-1-6-24-50)45-64(53-29-11-4-12-30-53)77(68)81(70-39-19-16-32-57(70)52-27-9-3-10-28-52)72-49-66-62-36-22-42-74-76(62)67(48-65(66)58-33-13-14-34-59(58)72)61-44-43-55(47-75(61)82-74)80(69-38-18-15-31-56(69)51-25-7-2-8-26-51)71-40-21-37-63-60-35-17-20-41-73(60)83-78(63)71;1-3-19-45(20-4-1)49-23-9-13-31-62(49)73(64-33-17-30-57-53-27-11-16-35-67(53)77-72(57)64)48-37-39-55-61-43-58-51-25-7-8-26-52(51)65(44-59(58)56-29-18-36-69(71(56)61)76-70(55)42-48)74(63-32-14-10-24-50(63)46-21-5-2-6-22-46)47-38-40-68-60(41-47)54-28-12-15-34-66(54)75-68/h1-49H;1-44H.

What are the key properties of 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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 2050.41 g/mol, XLogP of 43.56, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-4-N,17-N-bis(2-phenylphenyl)-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;17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-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 159435676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).