2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole

C56H39N5O — CID 145383090

IUPAC2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole
SMILESCCn1c(-c2ccc(-c3c4ccccc4c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c4ccccc34)cc2)nc2c1C=CCC2
InChIInChI=1S/C56H39N5O/c1-2-61-47-26-14-13-25-46(47)57-56(61)38-30-28-35(29-31-38)50-40-20-9-11-22-42(40)51(43-23-12-10-21-41(43)50)39-32-33-48-45(34-39)52-44(24-15-27-49(52)62-48)55-59-53(36-16-5-3-6-17-36)58-54(60-55)37-18-7-4-8-19-37/h3-12,14-24,26-34H,2,13,25H2,1H3
InChIKeyYFVXYCVZSXVEGA-UHFFFAOYSA-N
MW797.96 g/mol
LogP14.26
Rot. Bonds7

About 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole

2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole (PubChem CID 145383090) has the molecular formula C56H39N5O and a molecular weight of 797.96 g/mol. Its IUPAC name is 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole
PubChem CID145383090
Molecular FormulaC56H39N5O
Molecular Weight797.96 g/mol
Exact Mass797.32
IUPAC Name2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole
SMILESCCn1c(-c2ccc(-c3c4ccccc4c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c4ccccc34)cc2)nc2c1C=CCC2
InChIInChI=1S/C56H39N5O/c1-2-61-47-26-14-13-25-46(47)57-56(61)38-30-28-35(29-31-38)50-40-20-9-11-22-42(40)51(43-23-12-10-21-41(43)50)39-32-33-48-45(34-39)52-44(24-15-27-49(52)62-48)55-59-53(36-16-5-3-6-17-36)58-54(60-55)37-18-7-4-8-19-37/h3-12,14-24,26-34H,2,13,25H2,1H3
InChIKeyYFVXYCVZSXVEGA-UHFFFAOYSA-N
XLogP14.26
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.96
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole with MolForge

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Related Compounds

2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
CID 174072242
CID 174072242
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
CID 174102570
CID 174102570
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138672004
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole?
The IUPAC name of 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole (CID 145383090) is 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole?
The canonical SMILES for 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole is CCn1c(-c2ccc(-c3c4ccccc4c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c4ccccc34)cc2)nc2c1C=CCC2.
What is the InChIKey of 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole?
The InChIKey is YFVXYCVZSXVEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N5O/c1-2-61-47-26-14-13-25-46(47)57-56(61)38-30-28-35(29-31-38)50-40-20-9-11-22-42(40)51(43-23-12-10-21-41(43)50)39-32-33-48-45(34-39)52-44(24-15-27-49(52)62-48)55-59-53(36-16-5-3-6-17-36)58-54(60-55)37-18-7-4-8-19-37/h3-12,14-24,26-34H,2,13,25H2,1H3.
What are the key properties of 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole?
2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole has a molecular weight of 797.96 g/mol, XLogP of 14.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]anthracen-9-yl]phenyl]-1-ethyl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 145383090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).