2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

C45H30N2 — CID 87412319

IUPAC2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C45H30N2/c1-3-15-31(16-4-1)35-19-7-8-20-36(35)44-39-23-11-9-21-37(39)43(38-22-10-12-24-40(38)44)32-27-29-34(30-28-32)47-42-26-14-13-25-41(42)46-45(47)33-17-5-2-6-18-33/h1-30H
InChIKeyHJPVAJAUXWPFPS-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.00
Rot. Bonds5

About 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 87412319) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID87412319
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C45H30N2/c1-3-15-31(16-4-1)35-19-7-8-20-36(35)44-39-23-11-9-21-37(39)43(38-22-10-12-24-40(38)44)32-27-29-34(30-28-32)47-42-26-14-13-25-41(42)46-45(47)33-17-5-2-6-18-33/h1-30H
InChIKeyHJPVAJAUXWPFPS-UHFFFAOYSA-N
XLogP12.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.00
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

1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169071960
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole
CID 87412317
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610
2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
CID 89292400

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 87412319) is 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is HJPVAJAUXWPFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-3-15-31(16-4-1)35-19-7-8-20-36(35)44-39-23-11-9-21-37(39)43(38-22-10-12-24-40(38)44)32-27-29-34(30-28-32)47-42-26-14-13-25-41(42)46-45(47)33-17-5-2-6-18-33/h1-30H.
What are the key properties of 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 598.75 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 87412319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).