2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole

C50H34N4 — CID 155333103

IUPAC2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
SMILESCc1nc2ccccc2n1-c1cccc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3cccc(-n4c(C)nc5ccccc54)c3cc12
InChIInChI=1S/C50H34N4/c1-31-51-42-24-10-12-26-46(42)53(31)44-28-14-22-38-40(44)30-41-39(23-15-29-45(41)54-32(2)52-43-25-11-13-27-47(43)54)50(38)49-36-20-8-6-18-34(36)48(33-16-4-3-5-17-33)35-19-7-9-21-37(35)49/h3-30H,1-2H3
InChIKeyGWQDWAOXADFUTR-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.93
Rot. Bonds4

About 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole

2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole (PubChem CID 155333103) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
PubChem CID155333103
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
SMILESCc1nc2ccccc2n1-c1cccc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3cccc(-n4c(C)nc5ccccc54)c3cc12
InChIInChI=1S/C50H34N4/c1-31-51-42-24-10-12-26-46(42)53(31)44-28-14-22-38-40(44)30-41-39(23-15-29-45(41)54-32(2)52-43-25-11-13-27-47(43)54)50(38)49-36-20-8-6-18-34(36)48(33-16-4-3-5-17-33)35-19-7-9-21-37(35)49/h3-30H,1-2H3
InChIKeyGWQDWAOXADFUTR-UHFFFAOYSA-N
XLogP12.93
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.93
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

2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498
1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
CID 170235690
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-phenylanthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[10-phenyl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]benzimidazole
CID 159553812
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
CID 174118953
CID 174118953
2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole
CID 155333469
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
CID 162249648
2-methyl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 169071319

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole?
The IUPAC name of 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole (CID 155333103) is 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole?
The canonical SMILES for 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole is Cc1nc2ccccc2n1-c1cccc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3cccc(-n4c(C)nc5ccccc54)c3cc12.
What is the InChIKey of 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole?
The InChIKey is GWQDWAOXADFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-31-51-42-24-10-12-26-46(42)53(31)44-28-14-22-38-40(44)30-41-39(23-15-29-45(41)54-32(2)52-43-25-11-13-27-47(43)54)50(38)49-36-20-8-6-18-34(36)48(33-16-4-3-5-17-33)35-19-7-9-21-37(35)49/h3-30H,1-2H3.
What are the key properties of 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole?
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole has a molecular weight of 690.85 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole is sourced from PubChem (CID 155333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).