1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole

C46H32N2 — CID 166777407

IUPAC1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole
SMILESC1=CCc2c(nc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccccc5)c4c3)n2-c2ccccc2)C=C1
InChIInChI=1S/C46H32N2/c1-5-15-32(16-6-1)33-25-27-35(28-26-33)44-38-21-13-14-22-39(38)45(34-17-7-2-8-18-34)41-31-36(29-30-40(41)44)46-47-42-23-11-4-12-24-43(42)48(46)37-19-9-3-10-20-37/h1-23,25-31H,24H2
InChIKeyRHZQDWTXOAIXQQ-UHFFFAOYSA-N
MW612.78 g/mol
LogP11.97
Rot. Bonds5

About 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole

1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole (PubChem CID 166777407) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole
PubChem CID166777407
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole
SMILESC1=CCc2c(nc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccccc5)c4c3)n2-c2ccccc2)C=C1
InChIInChI=1S/C46H32N2/c1-5-15-32(16-6-1)33-25-27-35(28-26-33)44-38-21-13-14-22-39(38)45(34-17-7-2-8-18-34)41-31-36(29-30-40(41)44)46-47-42-23-11-4-12-24-43(42)48(46)37-19-9-3-10-20-37/h1-23,25-31H,24H2
InChIKeyRHZQDWTXOAIXQQ-UHFFFAOYSA-N
XLogP11.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7-methyl-1,2-diphenylbenzimidazole
CID 58953606
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[9-[(1R)-cyclohexa-2,4-dien-1-yl]-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 155064850
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
3-[4-[9-cyclohexa-1,3-dien-1-yl-10-(7,8-dihydronaphthalen-2-yl)anthracen-2-yl]phenyl]-5-methyl-2-phenyl-4,5-dihydrobenzimidazole
CID 166686617
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
1-phenyl-2-[9-phenyl-10-(4-phenylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]benzimidazole
CID 130184277
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669
2-[10,10-dimethyl-14,21-di(phenanthren-9-yl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-3-phenyl-4,5-dihydrobenzimidazole
CID 89092282
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[10-[3-(1-cyclohepta-1,4,6-trien-1-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 143535557
2-[9-(6-methylcyclohexa-2,4-dien-1-yl)-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 129172755

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole?
The IUPAC name of 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole (CID 166777407) is 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole.
What is the SMILES notation for 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole?
The canonical SMILES for 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole is C1=CCc2c(nc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccccc5)c4c3)n2-c2ccccc2)C=C1.
What is the InChIKey of 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole?
The InChIKey is RHZQDWTXOAIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-5-15-32(16-6-1)33-25-27-35(28-26-33)44-38-21-13-14-22-39(38)45(34-17-7-2-8-18-34)41-31-36(29-30-40(41)44)46-47-42-23-11-4-12-24-43(42)48(46)37-19-9-3-10-20-37/h1-23,25-31H,24H2.
What are the key properties of 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole?
1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole has a molecular weight of 612.78 g/mol, XLogP of 11.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]-8H-cyclohepta[d]imidazole is sourced from PubChem (CID 166777407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).