2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole

C56H38N4 — CID 175709970

IUPAC2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole
SMILESc1ccc(C(c2ccccc2)(c2nc3c(ccc4c5ccccc5ccc43)[nH]2)C(c2ccccc2)(c2ccccc2)c2nc3c(ccc4c5ccccc5ccc43)[nH]2)cc1
InChIInChI=1S/C56H38N4/c1-5-19-39(20-6-1)55(40-21-7-2-8-22-40,53-57-49-35-33-45-43-27-15-13-17-37(43)29-31-47(45)51(49)59-53)56(41-23-9-3-10-24-41,42-25-11-4-12-26-42)54-58-50-36-34-46-44-28-16-14-18-38(44)30-32-48(46)52(50)60-54/h1-36H,(H,57,59)(H,58,60)
InChIKeyZPBZOBNIQPICHI-UHFFFAOYSA-N
MW766.95 g/mol
LogP13.42
Rot. Bonds7

About 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole

2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole (PubChem CID 175709970) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole.

Molecular Properties

Compound Name2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole
PubChem CID175709970
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole
SMILESc1ccc(C(c2ccccc2)(c2nc3c(ccc4c5ccccc5ccc43)[nH]2)C(c2ccccc2)(c2ccccc2)c2nc3c(ccc4c5ccccc5ccc43)[nH]2)cc1
InChIInChI=1S/C56H38N4/c1-5-19-39(20-6-1)55(40-21-7-2-8-22-40,53-57-49-35-33-45-43-27-15-13-17-37(43)29-31-47(45)51(49)59-53)56(41-23-9-3-10-24-41,42-25-11-4-12-26-42)54-58-50-36-34-46-44-28-16-14-18-38(44)30-32-48(46)52(50)60-54/h1-36H,(H,57,59)(H,58,60)
InChIKeyZPBZOBNIQPICHI-UHFFFAOYSA-N
XLogP13.42
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 513.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole?
The IUPAC name of 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole (CID 175709970) is 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole.
What is the SMILES notation for 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole?
The canonical SMILES for 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole is c1ccc(C(c2ccccc2)(c2nc3c(ccc4c5ccccc5ccc43)[nH]2)C(c2ccccc2)(c2ccccc2)c2nc3c(ccc4c5ccccc5ccc43)[nH]2)cc1.
What is the InChIKey of 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole?
The InChIKey is ZPBZOBNIQPICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-5-19-39(20-6-1)55(40-21-7-2-8-22-40,53-57-49-35-33-45-43-27-15-13-17-37(43)29-31-47(45)51(49)59-53)56(41-23-9-3-10-24-41,42-25-11-4-12-26-42)54-58-50-36-34-46-44-28-16-14-18-38(44)30-32-48(46)52(50)60-54/h1-36H,(H,57,59)(H,58,60).
What are the key properties of 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole?
2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole has a molecular weight of 766.95 g/mol, XLogP of 13.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-naphtho[2,1-e]benzimidazol-2-yl)-1,1,2,2-tetraphenylethyl]-1H-naphtho[2,1-e]benzimidazole is sourced from PubChem (CID 175709970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).