4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine

C258H154F4N10O12 — CID 162208019

About 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine

4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine (PubChem CID 162208019) has the molecular formula C258H154F4N10O12 and a molecular weight of 3662.12 g/mol. Its IUPAC name is 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine.

Molecular Properties

• Compound Name: 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
• PubChem CID: 162208019
• Molecular Formula: C258H154F4N10O12
• Molecular Weight: 3662.12 g/mol
• Exact Mass: 3659.17
• IUPAC Name: 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
• SMILES: Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1cccc2c1oc1ccccc12)c1c2ccccc2c(N(c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2c1oc1ccccc12.Fc1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccc(F)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccc(C#N)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc1.c1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4c3oc3ccccc34)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C76H46F2N2O3.C76H48N2O3.C54H30N4O3.C52H30F2N2O3/c77-62-45-51(47-23-5-1-6-24-47)43-60(49-27-9-3-10-28-49)70(62)79(64-38-21-36-57-53-31-15-18-40-66(53)81-74(57)64)72-55-33-13-14-34-56(55)73(76-69(72)59-35-17-20-42-68(59)83-76)80(65-39-22-37-58-54-32-16-19-41-67(54)82-75(58)65)71-61(50-29-11-4-12-30-50)44-52(46-63(71)78)48-25-7-2-8-26-48;1-5-23-49(24-6-1)53-43-45-64(62(47-53)51-27-9-3-10-28-51)77(66-38-21-36-59-55-31-15-18-40-68(55)79-74(59)66)72-57-33-13-14-34-58(57)73(76-71(72)61-35-17-20-42-70(61)81-76)78(67-39-22-37-60-56-32-16-19-41-69(56)80-75(60)67)65-46-44-54(50-25-7-2-8-26-50)48-63(65)52-29-11-4-12-30-52;1-56-34-26-30-36(31-27-34)58(45-20-11-18-42-38-13-5-8-22-47(38)60-53(42)45)51-40-15-3-2-14-39(40)50(49-43-16-6-9-23-48(43)61-54(49)51)57(35-28-24-33(32-55)25-29-35)44-19-10-17-41-37-12-4-7-21-46(37)59-52(41)44;53-31-23-27-33(28-24-31)55(42-18-9-16-39-35-11-3-6-20-44(35)57-50(39)42)48-37-13-1-2-14-38(37)49(52-47(48)41-15-5-8-22-46(41)59-52)56(34-29-25-32(54)26-30-34)43-19-10-17-40-36-12-4-7-21-45(36)58-51(40)43/h1-46H;1-48H;2-31H;1-30H
• InChIKey: ZSLRJZSFEUACAU-UHFFFAOYSA-N
• XLogP: 76.23
• TPSA: 211.75 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 32
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3662.12
LogP ≤ 5	76.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

The IUPAC name of 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine (CID 162208019) is 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine.

What is the SMILES notation for 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

The canonical SMILES for 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1cccc2c1oc1ccccc12)c1c2ccccc2c(N(c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2cccc3c2oc2ccccc23)c2c1oc1ccccc12.Fc1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccc(F)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2cccc3c2oc2ccccc23)c2c3ccccc3c(N(c3ccc(C#N)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc1.c1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cccc5c4oc4ccccc45)c4c3oc3ccccc34)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

The InChIKey is ZSLRJZSFEUACAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46F2N2O3.C76H48N2O3.C54H30N4O3.C52H30F2N2O3/c77-62-45-51(47-23-5-1-6-24-47)43-60(49-27-9-3-10-28-49)70(62)79(64-38-21-36-57-53-31-15-18-40-66(53)81-74(57)64)72-55-33-13-14-34-56(55)73(76-69(72)59-35-17-20-42-68(59)83-76)80(65-39-22-37-58-54-32-16-19-41-67(54)82-75(58)65)71-61(50-29-11-4-12-30-50)44-52(46-63(71)78)48-25-7-2-8-26-48;1-5-23-49(24-6-1)53-43-45-64(62(47-53)51-27-9-3-10-28-51)77(66-38-21-36-59-55-31-15-18-40-68(55)79-74(59)66)72-57-33-13-14-34-58(57)73(76-71(72)61-35-17-20-42-70(61)81-76)78(67-39-22-37-60-56-32-16-19-41-69(56)80-75(60)67)65-46-44-54(50-25-7-2-8-26-50)48-63(65)52-29-11-4-12-30-52;1-56-34-26-30-36(31-27-34)58(45-20-11-18-42-38-13-5-8-22-47(38)60-53(42)45)51-40-15-3-2-14-39(40)50(49-43-16-6-9-23-48(43)61-54(49)51)57(35-28-24-33(32-55)25-29-35)44-19-10-17-41-37-12-4-7-21-46(37)59-52(41)44;53-31-23-27-33(28-24-31)55(42-18-9-16-39-35-11-3-6-20-44(35)57-50(39)42)48-37-13-1-2-14-38(37)49(52-47(48)41-15-5-8-22-46(41)59-52)56(34-29-25-32(54)26-30-34)43-19-10-17-40-36-12-4-7-21-45(36)58-51(40)43/h1-46H;1-48H;2-31H;1-30H.

What are the key properties of 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine has a molecular weight of 3662.12 g/mol, XLogP of 76.23, 32 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-isocyanoanilino)naphtho[3,2-b][1]benzofuran-11-yl]amino]benzonitrile;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2,4-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine;6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(4-fluorophenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine is sourced from PubChem (CID 162208019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).