3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole

C52H35N3 — CID 122696305

IUPAC3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole
SMILESc1ccc(C2Nc3ccccc3N2c2cccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)nc1
InChIInChI=1S/C52H35N3/c1-3-14-36-30-40(25-23-34(36)12-1)50-43-18-5-6-19-44(43)51(41-26-24-35-13-2-4-15-37(35)31-41)46-33-39(27-28-45(46)50)38-16-11-17-42(32-38)55-49-22-8-7-20-47(49)54-52(55)48-21-9-10-29-53-48/h1-33,52,54H
InChIKeyONACAFZOIOIYHI-UHFFFAOYSA-N
MW701.87 g/mol
LogP13.96
Rot. Bonds5

About 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole

3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole (PubChem CID 122696305) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole
PubChem CID122696305
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole
SMILESc1ccc(C2Nc3ccccc3N2c2cccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)nc1
InChIInChI=1S/C52H35N3/c1-3-14-36-30-40(25-23-34(36)12-1)50-43-18-5-6-19-44(43)51(41-26-24-35-13-2-4-15-37(35)31-41)46-33-39(27-28-45(46)50)38-16-11-17-42(32-38)55-49-22-8-7-20-47(49)54-52(55)48-21-9-10-29-53-48/h1-33,52,54H
InChIKeyONACAFZOIOIYHI-UHFFFAOYSA-N
XLogP13.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 513.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[3-[2-(3,5-diphenylphenyl)-10-(3-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 159036101
3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine
CID 159543266
2-ethyl-3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-1,2-dihydrobenzimidazole
CID 175630970
6-(6,7-dihydronaphthalen-2-yl)-3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-12,12a-dihydrobenzimidazolo[2,1-a]isoquinoline
CID 143486439
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 90361875
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole (CID 122696305) is 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole is c1ccc(C2Nc3ccccc3N2c2cccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)nc1.
What is the InChIKey of 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole?
The InChIKey is ONACAFZOIOIYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-3-14-36-30-40(25-23-34(36)12-1)50-43-18-5-6-19-44(43)51(41-26-24-35-13-2-4-15-37(35)31-41)46-33-39(27-28-45(46)50)38-16-11-17-42(32-38)55-49-22-8-7-20-47(49)54-52(55)48-21-9-10-29-53-48/h1-33,52,54H.
What are the key properties of 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole?
3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole has a molecular weight of 701.87 g/mol, XLogP of 13.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 122696305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).