4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile

C144H102BBrN6O4 — CID 161489215

About 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile

4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile (PubChem CID 161489215) has the molecular formula C144H102BBrN6O4 and a molecular weight of 2071.15 g/mol. Its IUPAC name is 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile
• PubChem CID: 161489215
• Molecular Formula: C144H102BBrN6O4
• Molecular Weight: 2071.15 g/mol
• Exact Mass: 2068.72
• IUPAC Name: 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile
• SMILES: Brc1cc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)c1.CC1(C)OB(c2ccc(-c3ccc(C#N)c4c3oc3ccccc34)cc2)OC1(C)C.N#Cc1ccc(-c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)c2oc3ccccc3c12
• InChI: InChI=1S/C69H45N3O.C50H35BrN2.C25H22BNO3/c70-46-53-37-42-65(69-68(53)66-25-11-12-28-67(66)73-69)52-31-29-47(30-32-52)54-43-59(71(55-19-3-1-4-20-55)57-38-33-50(34-39-57)63-26-13-17-48-15-7-9-23-61(48)63)45-60(44-54)72(56-21-5-2-6-22-56)58-40-35-51(36-41-58)64-27-14-18-49-16-8-10-24-62(49)64;51-40-33-45(52(41-17-3-1-4-18-41)43-29-25-38(26-30-43)49-23-11-15-36-13-7-9-21-47(36)49)35-46(34-40)53(42-19-5-2-6-20-42)44-31-27-39(28-32-44)50-24-12-16-37-14-8-10-22-48(37)50;1-24(2)25(3,4)30-26(29-24)18-12-9-16(10-13-18)19-14-11-17(15-27)22-20-7-5-6-8-21(20)28-23(19)22/h1-45H;1-35H;5-14H,1-4H3
• InChIKey: WFJQMKWPJTWFOR-UHFFFAOYSA-N
• XLogP: 39.82
• TPSA: 105.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2071.15
LogP ≤ 5	39.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile?

The IUPAC name of 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile (CID 161489215) is 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile.

What is the SMILES notation for 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile?

The canonical SMILES for 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile is Brc1cc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)c1.CC1(C)OB(c2ccc(-c3ccc(C#N)c4c3oc3ccccc34)cc2)OC1(C)C.N#Cc1ccc(-c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)c2oc3ccccc3c12.

What is the InChIKey of 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile?

The InChIKey is WFJQMKWPJTWFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N3O.C50H35BrN2.C25H22BNO3/c70-46-53-37-42-65(69-68(53)66-25-11-12-28-67(66)73-69)52-31-29-47(30-32-52)54-43-59(71(55-19-3-1-4-20-55)57-38-33-50(34-39-57)63-26-13-17-48-15-7-9-23-61(48)63)45-60(44-54)72(56-21-5-2-6-22-56)58-40-35-51(36-41-58)64-27-14-18-49-16-8-10-24-62(49)64;51-40-33-45(52(41-17-3-1-4-18-41)43-29-25-38(26-30-43)49-23-11-15-36-13-7-9-21-47(36)49)35-46(34-40)53(42-19-5-2-6-20-42)44-31-27-39(28-32-44)50-24-12-16-37-14-8-10-22-48(37)50;1-24(2)25(3,4)30-26(29-24)18-12-9-16(10-13-18)19-14-11-17(15-27)22-20-7-5-6-8-21(20)28-23(19)22/h1-45H;1-35H;5-14H,1-4H3.

What are the key properties of 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile?

4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile has a molecular weight of 2071.15 g/mol, XLogP of 39.82, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3,5-bis(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-carbonitrile;5-bromo-1-N,3-N-bis(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzofuran-1-carbonitrile is sourced from PubChem (CID 161489215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).