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

C106H82BBrN2O2 — CID 157345966

IUPACN,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
SMILESBrc1ccc2cc(-c3cccc4ccccc34)ccc2c1.CC1(C)OB(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC1(C)C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C50H35N.C36H34BNO2.C20H13Br/c1-3-10-36(11-4-1)38-22-28-46(29-23-38)51(47-30-24-39(25-31-47)37-12-5-2-6-13-37)48-32-26-40(27-33-48)42-18-19-44-35-45(21-20-43(44)34-42)50-17-9-15-41-14-7-8-16-49(41)50;1-35(2)36(3,4)40-37(39-35)31-19-25-34(26-20-31)38(32-21-15-29(16-22-32)27-11-7-5-8-12-27)33-23-17-30(18-24-33)28-13-9-6-10-14-28;21-18-11-10-15-12-17(9-8-16(15)13-18)20-7-3-5-14-4-1-2-6-19(14)20/h1-35H;5-26H,1-4H3;1-13H
InChIKeyBGYYEDTZGHUTFM-UHFFFAOYSA-N
MW1506.55 g/mol
LogP29.34
Rot. Bonds14

About 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

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 (PubChem CID 157345966) has the molecular formula C106H82BBrN2O2 and a molecular weight of 1506.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID157345966
Molecular FormulaC106H82BBrN2O2
Molecular Weight1506.55 g/mol
Exact Mass1504.57
IUPAC NameN,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
SMILESBrc1ccc2cc(-c3cccc4ccccc34)ccc2c1.CC1(C)OB(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC1(C)C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C50H35N.C36H34BNO2.C20H13Br/c1-3-10-36(11-4-1)38-22-28-46(29-23-38)51(47-30-24-39(25-31-47)37-12-5-2-6-13-37)48-32-26-40(27-33-48)42-18-19-44-35-45(21-20-43(44)34-42)50-17-9-15-41-14-7-8-16-49(41)50;1-35(2)36(3,4)40-37(39-35)31-19-25-34(26-20-31)38(32-21-15-29(16-22-32)27-11-7-5-8-12-27)33-23-17-30(18-24-33)28-13-9-6-10-14-28;21-18-11-10-15-12-17(9-8-16(15)13-18)20-7-3-5-14-4-1-2-6-19(14)20/h1-35H;5-26H,1-4H3;1-13H
InChIKeyBGYYEDTZGHUTFM-UHFFFAOYSA-N
XLogP29.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001506.55
LogP ≤ 529.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165019998
N-(4-phenylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 90305757
4,4,5,5-tetramethyl-2-[3-[3-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 174246089
4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165021116
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
CID 118901528
CID 158956097
CID 158956097
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
N,N-bis(4-phenylphenyl)-3-[3-phenyl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,N-bis(4-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1,3-dibromo-5-phenylbenzene
CID 159713741
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
4,4,5,5-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
CID 90065843
4,4,5,5-tetramethyl-2-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165007467
N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032157

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2cc(-c3cccc4ccccc34)ccc2c1.CC1(C)OB(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC1(C)C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BGYYEDTZGHUTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N.C36H34BNO2.C20H13Br/c1-3-10-36(11-4-1)38-22-28-46(29-23-38)51(47-30-24-39(25-31-47)37-12-5-2-6-13-37)48-32-26-40(27-33-48)42-18-19-44-35-45(21-20-43(44)34-42)50-17-9-15-41-14-7-8-16-49(41)50;1-35(2)36(3,4)40-37(39-35)31-19-25-34(26-20-31)38(32-21-15-29(16-22-32)27-11-7-5-8-12-27)33-23-17-30(18-24-33)28-13-9-6-10-14-28;21-18-11-10-15-12-17(9-8-16(15)13-18)20-7-3-5-14-4-1-2-6-19(14)20/h1-35H;5-26H,1-4H3;1-13H.
What are the key properties of 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?
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 has a molecular weight of 1506.55 g/mol, XLogP of 29.34, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157345966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).