N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine

C110H84B2N4O4 — CID 157318754

About N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine

N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine (PubChem CID 157318754) has the molecular formula C110H84B2N4O4 and a molecular weight of 1547.53 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine
• PubChem CID: 157318754
• Molecular Formula: C110H84B2N4O4
• Molecular Weight: 1547.53 g/mol
• Exact Mass: 1546.67
• IUPAC Name: N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine
• SMILES: CC1(C)OB(c2c(Oc3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)OC1(C)C.c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5c(cccc53)Oc3cc(N(c5ccccc5)c5ccccc5)c5ccccc5c34)cc2)cc1
• InChI: InChI=1S/C58H49BN2O3.C52H35BN2O/c1-57(2)58(3,4)64-59(63-57)56-53(61(48-36-32-44(33-37-48)42-20-9-5-10-21-42)49-38-34-45(35-39-49)43-22-11-6-12-23-43)30-19-31-55(56)62-54-41-40-52(50-28-17-18-29-51(50)54)60(46-24-13-7-14-25-46)47-26-15-8-16-27-47;1-5-16-36(17-6-1)38-28-31-42(32-29-38)55-46-33-30-39(37-18-7-2-8-19-37)34-45(46)53-51-44-25-14-13-24-43(44)48(35-50(51)56-49-27-15-26-47(55)52(49)53)54(40-20-9-3-10-21-40)41-22-11-4-12-23-41/h5-41H,1-4H3;1-35H
• InChIKey: BDXKQDWMYTZCIA-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 49.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1547.53
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine?

The IUPAC name of N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine (CID 157318754) is N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine.

What is the SMILES notation for N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine?

The canonical SMILES for N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine is CC1(C)OB(c2c(Oc3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)OC1(C)C.c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5c(cccc53)Oc3cc(N(c5ccccc5)c5ccccc5)c5ccccc5c34)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine?

The InChIKey is BDXKQDWMYTZCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49BN2O3.C52H35BN2O/c1-57(2)58(3,4)64-59(63-57)56-53(61(48-36-32-44(33-37-48)42-20-9-5-10-21-42)49-38-34-45(35-39-49)43-22-11-6-12-23-43)30-19-31-55(56)62-54-41-40-52(50-28-17-18-29-51(50)54)60(46-24-13-7-14-25-46)47-26-15-8-16-27-47;1-5-16-36(17-6-1)38-28-31-42(32-29-38)55-46-33-30-39(37-18-7-2-8-19-37)34-45(46)53-51-44-25-14-13-24-43(44)48(35-50(51)56-49-27-15-26-47(55)52(49)53)54(40-20-9-3-10-21-40)41-22-11-4-12-23-41/h5-41H,1-4H3;1-35H.

What are the key properties of N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine?

N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine has a molecular weight of 1547.53 g/mol, XLogP of 27.25, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[3-(4-phenyl-N-(4-phenylphenyl)anilino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]naphthalen-1-amine;N,N,22-triphenyl-18-(4-phenylphenyl)-12-oxa-18-aza-1-borahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-9-amine is sourced from PubChem (CID 157318754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).