6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole

C38H30N4 — CID 155333921

IUPAC6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(-c3cccc4c(-c5ccccc5)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C
InChIInChI=1S/C38H30N4/c1-23-39-34-18-16-26(20-36(34)41(23)3)28-12-8-14-30-32(28)22-33-29(27-17-19-35-37(21-27)42(4)24(2)40-35)13-9-15-31(33)38(30)25-10-6-5-7-11-25/h5-22H,1-4H3
InChIKeyCZWKHURZHKSXDK-UHFFFAOYSA-N
MW542.69 g/mol
LogP9.38
Rot. Bonds3

About 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole

6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole (PubChem CID 155333921) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole
PubChem CID155333921
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(-c3cccc4c(-c5ccccc5)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C
InChIInChI=1S/C38H30N4/c1-23-39-34-18-16-26(20-36(34)41(23)3)28-12-8-14-30-32(28)22-33-29(27-17-19-35-37(21-27)42(4)24(2)40-35)13-9-15-31(33)38(30)25-10-6-5-7-11-25/h5-22H,1-4H3
InChIKeyCZWKHURZHKSXDK-UHFFFAOYSA-N
XLogP9.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 59.38
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

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
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155334720
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-4'-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155335122
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155335100
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9-diphenylfluoren-4-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155333720
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
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole
CID 155334148
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]benzimidazole
CID 158975586
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333918
1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
CID 170235690

Frequently Asked Questions

What is the IUPAC name of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole?
The IUPAC name of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole (CID 155333921) is 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole.
What is the SMILES notation for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole?
The canonical SMILES for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole is Cc1nc2ccc(-c3cccc4c(-c5ccccc5)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C.
What is the InChIKey of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole?
The InChIKey is CZWKHURZHKSXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-23-39-34-18-16-26(20-36(34)41(23)3)28-12-8-14-30-32(28)22-33-29(27-17-19-35-37(21-27)42(4)24(2)40-35)13-9-15-31(33)38(30)25-10-6-5-7-11-25/h5-22H,1-4H3.
What are the key properties of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole?
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole has a molecular weight of 542.69 g/mol, XLogP of 9.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole is sourced from PubChem (CID 155333921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).