1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole

C53H34N2 — CID 140942183

IUPAC1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c5ccccc45)cc3c3ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-3-16-35(17-4-1)47-33-36-30-31-38(34-48(36)42-23-8-7-22-41(42)47)52-45-26-11-9-24-43(45)51(44-25-10-12-27-46(44)52)37-18-15-19-39(32-37)53-54-49-28-13-14-29-50(49)55(53)40-20-5-2-6-21-40/h1-34H
InChIKeyVZSSHJPOWHKYHB-UHFFFAOYSA-N
MW698.87 g/mol
LogP14.31
Rot. Bonds5

About 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole

1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 140942183) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID140942183
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c5ccccc45)cc3c3ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-3-16-35(17-4-1)47-33-36-30-31-38(34-48(36)42-23-8-7-22-41(42)47)52-45-26-11-9-24-43(45)51(44-25-10-12-27-46(44)52)37-18-15-19-39(32-37)53-54-49-28-13-14-29-50(49)55(53)40-20-5-2-6-21-40/h1-34H
InChIKeyVZSSHJPOWHKYHB-UHFFFAOYSA-N
XLogP14.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
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
9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
1-phenyl-2-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[10-[4-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[4-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole;1-phenyl-2-[10-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
CID 158895987
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 167136922
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[3-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 169070976

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole (CID 140942183) is 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole is c1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c5ccccc45)cc3c3ccccc23)cc1.
What is the InChIKey of 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is VZSSHJPOWHKYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-16-35(17-4-1)47-33-36-30-31-38(34-48(36)42-23-8-7-22-41(42)47)52-45-26-11-9-24-43(45)51(44-25-10-12-27-46(44)52)37-18-15-19-39(32-37)53-54-49-28-13-14-29-50(49)55(53)40-20-5-2-6-21-40/h1-34H.
What are the key properties of 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole?
1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 698.87 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 140942183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).