2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole

C58H44N4 — CID 130417768

IUPAC2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole
SMILESCc1cccc2ccc(N3C(=C4N(c5ccc6cccc(C)c6c5)c5ccccc5N4c4ccc5cccc(C)c5c4)N(c4ccc5cccc(C)c5c4)c4ccccc43)cc12
InChIInChI=1S/C58H44N4/c1-37-13-9-17-41-25-29-45(33-49(37)41)59-53-21-5-6-22-54(53)60(46-30-26-42-18-10-14-38(2)50(42)34-46)57(59)58-61(47-31-27-43-19-11-15-39(3)51(43)35-47)55-23-7-8-24-56(55)62(58)48-32-28-44-20-12-16-40(4)52(44)36-48/h5-36H,1-4H3
InChIKeyRKFGBHDCLWOZTC-UHFFFAOYSA-N
MW797.02 g/mol
LogP15.94
Rot. Bonds4

About 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole

2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole (PubChem CID 130417768) has the molecular formula C58H44N4 and a molecular weight of 797.02 g/mol. Its IUPAC name is 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole.

Molecular Properties

Compound Name2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole
PubChem CID130417768
Molecular FormulaC58H44N4
Molecular Weight797.02 g/mol
Exact Mass796.36
IUPAC Name2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole
SMILESCc1cccc2ccc(N3C(=C4N(c5ccc6cccc(C)c6c5)c5ccccc5N4c4ccc5cccc(C)c5c4)N(c4ccc5cccc(C)c5c4)c4ccccc43)cc12
InChIInChI=1S/C58H44N4/c1-37-13-9-17-41-25-29-45(33-49(37)41)59-53-21-5-6-22-54(53)60(46-30-26-42-18-10-14-38(2)50(42)34-46)57(59)58-61(47-31-27-43-19-11-15-39(3)51(43)35-47)55-23-7-8-24-56(55)62(58)48-32-28-44-20-12-16-40(4)52(44)36-48/h5-36H,1-4H3
InChIKeyRKFGBHDCLWOZTC-UHFFFAOYSA-N
XLogP15.94
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.02
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole?
The IUPAC name of 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole (CID 130417768) is 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole.
What is the SMILES notation for 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole?
The canonical SMILES for 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole is Cc1cccc2ccc(N3C(=C4N(c5ccc6cccc(C)c6c5)c5ccccc5N4c4ccc5cccc(C)c5c4)N(c4ccc5cccc(C)c5c4)c4ccccc43)cc12.
What is the InChIKey of 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole?
The InChIKey is RKFGBHDCLWOZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4/c1-37-13-9-17-41-25-29-45(33-49(37)41)59-53-21-5-6-22-54(53)60(46-30-26-42-18-10-14-38(2)50(42)34-46)57(59)58-61(47-31-27-43-19-11-15-39(3)51(43)35-47)55-23-7-8-24-56(55)62(58)48-32-28-44-20-12-16-40(4)52(44)36-48/h5-36H,1-4H3.
What are the key properties of 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole?
2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole has a molecular weight of 797.02 g/mol, XLogP of 15.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(8-methylnaphthalen-2-yl)benzimidazol-2-ylidene]-1,3-bis(8-methylnaphthalen-2-yl)benzimidazole is sourced from PubChem (CID 130417768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).