1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole

C55H34N2 — CID 59010610

IUPAC1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)nc5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C55H34N2/c1-2-11-36(12-3-1)52-44-15-4-6-17-46(44)53(47-18-7-5-16-45(47)52)39-27-31-42(32-28-39)57-50-20-9-8-19-49(50)56-55(57)41-25-21-35(22-26-41)43-33-29-40-24-23-37-13-10-14-38-30-34-48(43)54(40)51(37)38/h1-34H
InChIKeyBEESVOLIIIDEMW-UHFFFAOYSA-N
MW722.89 g/mol
LogP14.90
Rot. Bonds5

About 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole

1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole (PubChem CID 59010610) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
PubChem CID59010610
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)nc5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C55H34N2/c1-2-11-36(12-3-1)52-44-15-4-6-17-46(44)53(47-18-7-5-16-45(47)52)39-27-31-42(32-28-39)57-50-20-9-8-19-49(50)56-55(57)41-25-21-35(22-26-41)43-33-29-40-24-23-37-13-10-14-38-30-34-48(43)54(40)51(37)38/h1-34H
InChIKeyBEESVOLIIIDEMW-UHFFFAOYSA-N
XLogP14.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 514.90
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

1-[4-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2-phenylbenzimidazole
CID 167411018
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
2-[10-[4-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-1-phenylbenzimidazole
CID 167411507
2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 148846094
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495
2-[4-[10-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 167410752
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole
CID 90362549
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole?
The IUPAC name of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole (CID 59010610) is 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole.
What is the SMILES notation for 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole?
The canonical SMILES for 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)nc5ccccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole?
The InChIKey is BEESVOLIIIDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-2-11-36(12-3-1)52-44-15-4-6-17-46(44)53(47-18-7-5-16-45(47)52)39-27-31-42(32-28-39)57-50-20-9-8-19-49(50)56-55(57)41-25-21-35(22-26-41)43-33-29-40-24-23-37-13-10-14-38-30-34-48(43)54(40)51(37)38/h1-34H.
What are the key properties of 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole?
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole has a molecular weight of 722.89 g/mol, XLogP of 14.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole is sourced from PubChem (CID 59010610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).