[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane

C58H42N2S — CID 146419066

IUPAC[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane
SMILESCn1c(-c2ccccc2-c2c3ccccc3c(-c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)nc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C58H42N2S/c1-60-55-39-36-43(41-20-6-2-7-21-41)40-54(55)59-58(60)53-33-19-18-32-52(53)57-50-30-16-14-28-48(50)56(49-29-15-17-31-51(49)57)42-34-37-47(38-35-42)61(44-22-8-3-9-23-44,45-24-10-4-11-25-45)46-26-12-5-13-27-46/h2-40H,1H3
InChIKeyCIRICZXYXJIGFH-UHFFFAOYSA-N
MW799.06 g/mol
LogP15.89
Rot. Bonds8

About [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane

[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane (PubChem CID 146419066) has the molecular formula C58H42N2S and a molecular weight of 799.06 g/mol. Its IUPAC name is [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane
PubChem CID146419066
Molecular FormulaC58H42N2S
Molecular Weight799.06 g/mol
Exact Mass798.31
IUPAC Name[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane
SMILESCn1c(-c2ccccc2-c2c3ccccc3c(-c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)nc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C58H42N2S/c1-60-55-39-36-43(41-20-6-2-7-21-41)40-54(55)59-58(60)53-33-19-18-32-52(53)57-50-30-16-14-28-48(50)56(49-29-15-17-31-51(49)57)42-34-37-47(38-35-42)61(44-22-8-3-9-23-44,45-24-10-4-11-25-45)46-26-12-5-13-27-46/h2-40H,1H3
InChIKeyCIRICZXYXJIGFH-UHFFFAOYSA-N
XLogP15.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.06
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
CID 58389750
1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole
CID 59010715
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole
CID 58836128
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858

Frequently Asked Questions

What is the IUPAC name of [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane?
The IUPAC name of [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane (CID 146419066) is [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane.
What is the SMILES notation for [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane?
The canonical SMILES for [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane is Cn1c(-c2ccccc2-c2c3ccccc3c(-c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)nc2cc(-c3ccccc3)ccc21.
What is the InChIKey of [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane?
The InChIKey is CIRICZXYXJIGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2S/c1-60-55-39-36-43(41-20-6-2-7-21-41)40-54(55)59-58(60)53-33-19-18-32-52(53)57-50-30-16-14-28-48(50)56(49-29-15-17-31-51(49)57)42-34-37-47(38-35-42)61(44-22-8-3-9-23-44,45-24-10-4-11-25-45)46-26-12-5-13-27-46/h2-40H,1H3.
What are the key properties of [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane?
[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane has a molecular weight of 799.06 g/mol, XLogP of 15.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane is sourced from PubChem (CID 146419066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).