N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane

C67H50BN3 — CID 142035984

IUPACN-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane
SMILESC(=N/c1ccc2ccccc2c1-c1c(B(c2ccccc2)c2ccccc2)ccc2ccccc12)\c1cccc(/C=N/c2ccc3ccccc3c2-c2c(-c3ccccc3)ccc3ccccc23)n1.CC
InChIInChI=1S/C65H44BN3.C2H6/c1-4-19-45(20-5-1)58-39-35-46-21-10-14-31-54(46)62(58)64-56-33-16-12-23-48(56)37-41-60(64)67-43-52-29-18-30-53(69-52)44-68-61-42-38-49-24-13-17-34-57(49)65(61)63-55-32-15-11-22-47(55)36-40-59(63)66(50-25-6-2-7-26-50)51-27-8-3-9-28-51;1-2/h1-44H;1-2H3/b67-43+,68-44+;
InChIKeyLBJOQYJPJFALLS-QVVKHJRXSA-N
MW907.97 g/mol
LogP15.74
Rot. Bonds10

About N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane

N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane (PubChem CID 142035984) has the molecular formula C67H50BN3 and a molecular weight of 907.97 g/mol. Its IUPAC name is N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane.

Molecular Properties

Compound NameN-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane
PubChem CID142035984
Molecular FormulaC67H50BN3
Molecular Weight907.97 g/mol
Exact Mass907.41
IUPAC NameN-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane
SMILESC(=N/c1ccc2ccccc2c1-c1c(B(c2ccccc2)c2ccccc2)ccc2ccccc12)\c1cccc(/C=N/c2ccc3ccccc3c2-c2c(-c3ccccc3)ccc3ccccc23)n1.CC
InChIInChI=1S/C65H44BN3.C2H6/c1-4-19-45(20-5-1)58-39-35-46-21-10-14-31-54(46)62(58)64-56-33-16-12-23-48(56)37-41-60(64)67-43-52-29-18-30-53(69-52)44-68-61-42-38-49-24-13-17-34-57(49)65(61)63-55-32-15-11-22-47(55)36-40-59(63)66(50-25-6-2-7-26-50)51-27-8-3-9-28-51;1-2/h1-44H;1-2H3/b67-43+,68-44+;
InChIKeyLBJOQYJPJFALLS-QVVKHJRXSA-N
XLogP15.74
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.97
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 101264651
1,2-diphenylnaphthalene
CID 11208267
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate
CID 139130518
1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11114666
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11519235
8,8,21,21-tetramethyl-5,18-bis(2-phenylnaphthalen-1-yl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59182205
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane?
The IUPAC name of N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane (CID 142035984) is N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane.
What is the SMILES notation for N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane?
The canonical SMILES for N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane is C(=N/c1ccc2ccccc2c1-c1c(B(c2ccccc2)c2ccccc2)ccc2ccccc12)\c1cccc(/C=N/c2ccc3ccccc3c2-c2c(-c3ccccc3)ccc3ccccc23)n1.CC.
What is the InChIKey of N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane?
The InChIKey is LBJOQYJPJFALLS-QVVKHJRXSA-N. The full InChI is InChI=1S/C65H44BN3.C2H6/c1-4-19-45(20-5-1)58-39-35-46-21-10-14-31-54(46)62(58)64-56-33-16-12-23-48(56)37-41-60(64)67-43-52-29-18-30-53(69-52)44-68-61-42-38-49-24-13-17-34-57(49)65(61)63-55-32-15-11-22-47(55)36-40-59(63)66(50-25-6-2-7-26-50)51-27-8-3-9-28-51;1-2/h1-44H;1-2H3/b67-43+,68-44+;.
What are the key properties of N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane?
N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane has a molecular weight of 907.97 g/mol, XLogP of 15.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-diphenylboranylnaphthalen-1-yl)naphthalen-2-yl]-1-[6-[[1-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-2-pyridinyl]methanimine;ethane is sourced from PubChem (CID 142035984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).