2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole

C64H42N2 — CID 58894895

IUPAC2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-41-27-29-42(30-28-41)60-50-17-5-9-21-54(50)62(55-22-10-6-18-51(55)60)47-37-35-46-40-48(38-36-45(46)39-47)63-56-23-11-7-19-52(56)61(53-20-8-12-24-57(53)63)43-31-33-44(34-32-43)64-65-58-25-13-14-26-59(58)66(64)49-15-3-2-4-16-49/h2-40H,1H3
InChIKeyDLJMIMZVYYYHIJ-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.43
Rot. Bonds6

About 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole

2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 58894895) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
PubChem CID58894895
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC Name2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-41-27-29-42(30-28-41)60-50-17-5-9-21-54(50)62(55-22-10-6-18-51(55)60)47-37-35-46-40-48(38-36-45(46)39-47)63-56-23-11-7-19-52(56)61(53-20-8-12-24-57(53)63)43-31-33-44(34-32-43)64-65-58-25-13-14-26-59(58)66(64)49-15-3-2-4-16-49/h2-40H,1H3
InChIKeyDLJMIMZVYYYHIJ-UHFFFAOYSA-N
XLogP17.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 517.43
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

2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[9-naphthalen-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]benzene-1,3-diol
CID 90380743
1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 58876083
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole (CID 58894895) is 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole is Cc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c6ccccc56)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is DLJMIMZVYYYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-41-27-29-42(30-28-41)60-50-17-5-9-21-54(50)62(55-22-10-6-18-51(55)60)47-37-35-46-40-48(38-36-45(46)39-47)63-56-23-11-7-19-52(56)61(53-20-8-12-24-57(53)63)43-31-33-44(34-32-43)64-65-58-25-13-14-26-59(58)66(64)49-15-3-2-4-16-49/h2-40H,1H3.
What are the key properties of 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 839.05 g/mol, XLogP of 17.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 58894895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).