2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole

C54H38N4 — CID 58953669

IUPAC2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
SMILESCc1nc2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)nc(C)n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C54H38N4/c1-35-55-49-33-41(25-29-51(49)57(35)43-19-11-5-12-20-43)39-23-27-45-47(31-39)53(37-15-7-3-8-16-37)46-28-24-40(32-48(46)54(45)38-17-9-4-10-18-38)42-26-30-52-50(34-42)56-36(2)58(52)44-21-13-6-14-22-44/h3-34H,1-2H3
InChIKeyVWMFCTNBWHGPAC-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.96
Rot. Bonds6

About 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole

2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole (PubChem CID 58953669) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
PubChem CID58953669
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
SMILESCc1nc2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)nc(C)n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C54H38N4/c1-35-55-49-33-41(25-29-51(49)57(35)43-19-11-5-12-20-43)39-23-27-45-47(31-39)53(37-15-7-3-8-16-37)46-28-24-40(32-48(46)54(45)38-17-9-4-10-18-38)42-26-30-52-50(34-42)56-36(2)58(52)44-21-13-6-14-22-44/h3-34H,1-2H3
InChIKeyVWMFCTNBWHGPAC-UHFFFAOYSA-N
XLogP13.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.96
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-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 58953645
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole (CID 58953669) is 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole is Cc1nc2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)nc(C)n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole?
The InChIKey is VWMFCTNBWHGPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-35-55-49-33-41(25-29-51(49)57(35)43-19-11-5-12-20-43)39-23-27-45-47(31-39)53(37-15-7-3-8-16-37)46-28-24-40(32-48(46)54(45)38-17-9-4-10-18-38)42-26-30-52-50(34-42)56-36(2)58(52)44-21-13-6-14-22-44/h3-34H,1-2H3.
What are the key properties of 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole?
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole has a molecular weight of 742.93 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 58953669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).