3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine

C240H159N9O2S — CID 163821962

About 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine

3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 163821962) has the molecular formula C240H159N9O2S and a molecular weight of 3233.04 g/mol. Its IUPAC name is 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
• PubChem CID: 163821962
• Molecular Formula: C240H159N9O2S
• Molecular Weight: 3233.04 g/mol
• Exact Mass: 3230.23
• IUPAC Name: 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1
• InChI: InChI=1S/2C80H53N3O.C80H53N3S/c1-4-19-54(20-5-1)56-35-41-62(42-36-56)81(63-43-37-57(38-44-63)55-21-6-2-7-22-55)66-49-60(76-51-59-23-10-11-26-68(59)70-27-12-13-28-71(70)76)50-67(52-66)82(64-45-39-58(40-46-64)69-31-18-32-75-74-30-15-17-34-79(74)84-80(69)75)65-47-48-73-72-29-14-16-33-77(72)83(78(73)53-65)61-24-8-3-9-25-61;1-4-18-54(19-5-1)56-32-39-63(40-33-56)81(64-41-34-57(35-42-64)55-20-6-2-7-21-55)67-48-61(75-51-60-22-10-11-25-69(60)70-26-12-13-27-71(70)75)49-68(52-67)82(65-43-36-58(37-44-65)59-38-47-80-76(50-59)74-29-15-17-31-79(74)84-80)66-45-46-73-72-28-14-16-30-77(72)83(78(73)53-66)62-23-8-3-9-24-62;1-4-19-54(20-5-1)56-35-41-62(42-36-56)81(63-43-37-57(38-44-63)55-21-6-2-7-22-55)66-49-60(76-51-59-23-10-11-26-68(59)70-27-12-13-28-71(70)76)50-67(52-66)82(64-45-39-58(40-46-64)69-31-18-32-75-74-30-15-17-34-79(74)84-80(69)75)65-47-48-73-72-29-14-16-33-77(72)83(78(73)53-65)61-24-8-3-9-25-61/h3*1-53H
• InChIKey: NWECMSIYJJETNJ-UHFFFAOYSA-N
• XLogP: 68.26
• TPSA: 60.51 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3233.04
LogP ≤ 5	68.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?

The IUPAC name of 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine (CID 163821962) is 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?

The canonical SMILES for 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.

What is the InChIKey of 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?

The InChIKey is NWECMSIYJJETNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C80H53N3O.C80H53N3S/c1-4-19-54(20-5-1)56-35-41-62(42-36-56)81(63-43-37-57(38-44-63)55-21-6-2-7-22-55)66-49-60(76-51-59-23-10-11-26-68(59)70-27-12-13-28-71(70)76)50-67(52-66)82(64-45-39-58(40-46-64)69-31-18-32-75-74-30-15-17-34-79(74)84-80(69)75)65-47-48-73-72-29-14-16-33-77(72)83(78(73)53-65)61-24-8-3-9-25-61;1-4-18-54(19-5-1)56-32-39-63(40-33-56)81(64-41-34-57(35-42-64)55-20-6-2-7-21-55)67-48-61(75-51-60-22-10-11-25-69(60)70-26-12-13-27-71(70)75)49-68(52-67)82(65-43-36-58(37-44-65)59-38-47-80-76(50-59)74-29-15-17-31-79(74)84-80)66-45-46-73-72-28-14-16-30-77(72)83(78(73)53-66)62-23-8-3-9-24-62;1-4-19-54(20-5-1)56-35-41-62(42-36-56)81(63-43-37-57(38-44-63)55-21-6-2-7-22-55)66-49-60(76-51-59-23-10-11-26-68(59)70-27-12-13-28-71(70)76)50-67(52-66)82(64-45-39-58(40-46-64)69-31-18-32-75-74-30-15-17-34-79(74)84-80(69)75)65-47-48-73-72-29-14-16-33-77(72)83(78(73)53-65)61-24-8-3-9-25-61/h3*1-53H.

What are the key properties of 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?

3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 3233.04 g/mol, XLogP of 68.26, 33 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 163821962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).