N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

C121H97B2ClN2O7 — CID 158964418

IUPACN,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
SMILESC.CC1(C)OB(c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C.Clc1cccc2c1oc1ccc3ccccc3c12.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H39NO2.C42H45B2NO4.C16H9ClO.CH4/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-24-32-48(33-25-43)63(49-34-26-46(27-35-49)53-16-8-18-55-59-51-14-6-4-12-44(51)30-38-57(59)64-61(53)55)50-36-28-47(29-37-50)54-17-9-19-56-60-52-15-7-5-13-45(52)31-39-58(60)65-62(54)56;1-39(2)40(3,4)47-43(46-39)34-20-26-37(27-21-34)45(38-28-22-35(23-29-38)44-48-41(5,6)42(7,8)49-44)36-24-18-33(19-25-36)32-16-14-31(15-17-32)30-12-10-9-11-13-30;17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;/h1-39H;9-29H,1-8H3;1-9H;1H4
InChIKeyJNAAHYXTMYJRCY-UHFFFAOYSA-N
MW1748.19 g/mol
LogP33.05
Rot. Bonds14

About N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline (PubChem CID 158964418) has the molecular formula C121H97B2ClN2O7 and a molecular weight of 1748.19 g/mol. Its IUPAC name is N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
PubChem CID158964418
Molecular FormulaC121H97B2ClN2O7
Molecular Weight1748.19 g/mol
Exact Mass1746.72
IUPAC NameN,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
SMILESC.CC1(C)OB(c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C.Clc1cccc2c1oc1ccc3ccccc3c12.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H39NO2.C42H45B2NO4.C16H9ClO.CH4/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-24-32-48(33-25-43)63(49-34-26-46(27-35-49)53-16-8-18-55-59-51-14-6-4-12-44(51)30-38-57(59)64-61(53)55)50-36-28-47(29-37-50)54-17-9-19-56-60-52-15-7-5-13-45(52)31-39-58(60)65-62(54)56;1-39(2)40(3,4)47-43(46-39)34-20-26-37(27-21-34)45(38-28-22-35(23-29-38)44-48-41(5,6)42(7,8)49-44)36-24-18-33(19-25-36)32-16-14-31(15-17-32)30-12-10-9-11-13-30;17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;/h1-39H;9-29H,1-8H3;1-9H;1H4
InChIKeyJNAAHYXTMYJRCY-UHFFFAOYSA-N
XLogP33.05
TPSA82.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001748.19
LogP ≤ 533.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline with MolForge

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Related Compounds

4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475
8-chloronaphtho[2,1-b][1]benzofuran;4,4,5,5-tetramethyl-2-naphtho[2,1-b][1]benzofuran-8-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162211794
N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromo-6-naphthalen-1-ylnaphthalene;N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157345966
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 123270176
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 159190869
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine
CID 154697102
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130466777
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline?
The IUPAC name of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline (CID 158964418) is N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline?
The canonical SMILES for N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline is C.CC1(C)OB(c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)OC1(C)C.Clc1cccc2c1oc1ccc3ccccc3c12.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline?
The InChIKey is JNAAHYXTMYJRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2.C42H45B2NO4.C16H9ClO.CH4/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-24-32-48(33-25-43)63(49-34-26-46(27-35-49)53-16-8-18-55-59-51-14-6-4-12-44(51)30-38-57(59)64-61(53)55)50-36-28-47(29-37-50)54-17-9-19-56-60-52-15-7-5-13-45(52)31-39-58(60)65-62(54)56;1-39(2)40(3,4)47-43(46-39)34-20-26-37(27-21-34)45(38-28-22-35(23-29-38)44-48-41(5,6)42(7,8)49-44)36-24-18-33(19-25-36)32-16-14-31(15-17-32)30-12-10-9-11-13-30;17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13;/h1-39H;9-29H,1-8H3;1-9H;1H4.
What are the key properties of N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline?
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline has a molecular weight of 1748.19 g/mol, XLogP of 33.05, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline is sourced from PubChem (CID 158964418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).