1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine

C230H149N9O6S — CID 163654631

About 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine

1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine (PubChem CID 163654631) has the molecular formula C230H149N9O6S and a molecular weight of 3166.85 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
• PubChem CID: 163654631
• Molecular Formula: C230H149N9O6S
• Molecular Weight: 3166.85 g/mol
• Exact Mass: 3164.14
• IUPAC Name: 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
• SMILES: c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c2)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C62H41N3O.2C56H36N2O2.C56H36N2OS/c1-4-19-44(20-5-1)63(47-33-35-62-58(40-47)56-29-15-17-31-61(56)66-62)49-36-43(57-38-42-18-10-11-25-51(42)52-26-12-13-27-53(52)57)37-50(39-49)64(45-21-6-2-7-22-45)48-32-34-55-54-28-14-16-30-59(54)65(60(55)41-48)46-23-8-3-9-24-46;1-3-17-39(18-4-1)57(41-30-31-54-50(36-41)47-24-11-13-27-52(47)59-54)42-32-38(49-34-37-16-7-8-21-44(37)45-22-9-10-23-46(45)49)33-43(35-42)58(40-19-5-2-6-20-40)51-26-15-29-55-56(51)48-25-12-14-28-53(48)60-55;1-3-16-39(17-4-1)57(41-28-30-55-52(35-41)49-24-12-14-26-54(49)59-55)43-31-38(51-33-37-15-7-8-20-45(37)46-21-9-10-22-47(46)51)32-44(34-43)58(40-18-5-2-6-19-40)42-27-29-50-48-23-11-13-25-53(48)60-56(50)36-42;1-3-16-39(17-4-1)57(41-28-30-54-52(35-41)48-23-11-13-25-53(48)59-54)43-31-38(51-33-37-15-7-8-20-45(37)46-21-9-10-22-47(46)51)32-44(34-43)58(40-18-5-2-6-19-40)42-27-29-50-49-24-12-14-26-55(49)60-56(50)36-42/h1-41H;3*1-36H
• InChIKey: IPCQWBZGHFKVIU-UHFFFAOYSA-N
• XLogP: 67.26
• TPSA: 109.69 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3166.85
LogP ≤ 5	67.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

The IUPAC name of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine (CID 163654631) is 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine.

What is the SMILES notation for 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

The canonical SMILES for 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine is c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c2)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

The InChIKey is IPCQWBZGHFKVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3O.2C56H36N2O2.C56H36N2OS/c1-4-19-44(20-5-1)63(47-33-35-62-58(40-47)56-29-15-17-31-61(56)66-62)49-36-43(57-38-42-18-10-11-25-51(42)52-26-12-13-27-53(52)57)37-50(39-49)64(45-21-6-2-7-22-45)48-32-34-55-54-28-14-16-30-59(54)65(60(55)41-48)46-23-8-3-9-24-46;1-3-17-39(18-4-1)57(41-30-31-54-50(36-41)47-24-11-13-27-52(47)59-54)42-32-38(49-34-37-16-7-8-21-44(37)45-22-9-10-23-46(45)49)33-43(35-42)58(40-19-5-2-6-20-40)51-26-15-29-55-56(51)48-25-12-14-28-53(48)60-55;1-3-16-39(17-4-1)57(41-28-30-55-52(35-41)49-24-12-14-26-54(49)59-55)43-31-38(51-33-37-15-7-8-20-45(37)46-21-9-10-22-47(46)51)32-44(34-43)58(40-18-5-2-6-19-40)42-27-29-50-48-23-11-13-25-53(48)60-56(50)36-42;1-3-16-39(17-4-1)57(41-28-30-54-52(35-41)48-23-11-13-25-53(48)59-54)43-31-38(51-33-37-15-7-8-20-45(37)46-21-9-10-22-47(46)51)32-44(34-43)58(40-18-5-2-6-19-40)42-27-29-50-49-24-12-14-26-55(49)60-56(50)36-42/h1-41H;3*1-36H.

What are the key properties of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine has a molecular weight of 3166.85 g/mol, XLogP of 67.26, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 163654631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).