5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole

C56H42N4 — CID 58953632

IUPAC5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
SMILESCc1nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc(-c8ccc9c(c8)nc(C)n9C)cc7)ccc6c(-c6ccccc6)c5c4)cc3)ccc2n1C
InChIInChI=1S/C56H42N4/c1-35-57-51-33-45(25-29-53(51)59(35)3)39-19-15-37(16-20-39)43-23-27-47-49(31-43)55(41-11-7-5-8-12-41)48-28-24-44(32-50(48)56(47)42-13-9-6-10-14-42)38-17-21-40(22-18-38)46-26-30-54-52(34-46)58-36(2)60(54)4/h5-34H,1-4H3
InChIKeyNRUXEAZVLUEPPK-UHFFFAOYSA-N
MW770.98 g/mol
LogP14.39
Rot. Bonds6

About 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole

5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole (PubChem CID 58953632) has the molecular formula C56H42N4 and a molecular weight of 770.98 g/mol. Its IUPAC name is 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
PubChem CID58953632
Molecular FormulaC56H42N4
Molecular Weight770.98 g/mol
Exact Mass770.34
IUPAC Name5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
SMILESCc1nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc(-c8ccc9c(c8)nc(C)n9C)cc7)ccc6c(-c6ccccc6)c5c4)cc3)ccc2n1C
InChIInChI=1S/C56H42N4/c1-35-57-51-33-45(25-29-53(51)59(35)3)39-19-15-37(16-20-39)43-23-27-47-49(31-43)55(41-11-7-5-8-12-41)48-28-24-44(32-50(48)56(47)42-13-9-6-10-14-42)38-17-21-40(22-18-38)46-26-30-54-52(34-46)58-36(2)60(54)4/h5-34H,1-4H3
InChIKeyNRUXEAZVLUEPPK-UHFFFAOYSA-N
XLogP14.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-ethyl-2-phenylbenzimidazole
CID 58953640
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
5-(9,10-diphenylanthracen-2-yl)-1-iodo-2-phenylbenzimidazole
CID 89014121
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155333921
[4-[10-[2-(1-methyl-5-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-triphenyl-λ4-sulfane
CID 146419066
2-(9,10-diphenylanthracen-2-yl)-6-methylbenzimidazolo[1,2-c]quinazoline
CID 129257054

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole?
The IUPAC name of 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole (CID 58953632) is 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole.
What is the SMILES notation for 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole?
The canonical SMILES for 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole is Cc1nc2cc(-c3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc(-c8ccc9c(c8)nc(C)n9C)cc7)ccc6c(-c6ccccc6)c5c4)cc3)ccc2n1C.
What is the InChIKey of 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole?
The InChIKey is NRUXEAZVLUEPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4/c1-35-57-51-33-45(25-29-53(51)59(35)3)39-19-15-37(16-20-39)43-23-27-47-49(31-43)55(41-11-7-5-8-12-41)48-28-24-44(32-50(48)56(47)42-13-9-6-10-14-42)38-17-21-40(22-18-38)46-26-30-54-52(34-46)58-36(2)60(54)4/h5-34H,1-4H3.
What are the key properties of 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole?
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole has a molecular weight of 770.98 g/mol, XLogP of 14.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole is sourced from PubChem (CID 58953632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).