1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole

C37H24N2 — CID 166510005

IUPAC1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C37H24N2/c1-2-13-26(14-3-1)37-38-33-20-10-11-21-34(33)39(37)36-31-18-8-6-16-29(31)35(30-17-7-9-19-32(30)36)28-23-22-25-12-4-5-15-27(25)24-28/h1-24H
InChIKeyFCMCMLPIXUWPDW-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.82
Rot. Bonds3

About 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole

1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole (PubChem CID 166510005) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
PubChem CID166510005
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C37H24N2/c1-2-13-26(14-3-1)37-38-33-20-10-11-21-34(33)39(37)36-31-18-8-6-16-29(31)35(30-17-7-9-19-32(30)36)28-23-22-25-12-4-5-15-27(25)24-28/h1-24H
InChIKeyFCMCMLPIXUWPDW-UHFFFAOYSA-N
XLogP9.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.82
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

1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
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-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-2-phenylbenzimidazole
CID 169071962
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452

Frequently Asked Questions

What is the IUPAC name of 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole?
The IUPAC name of 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole (CID 166510005) is 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole.
What is the SMILES notation for 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole?
The canonical SMILES for 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole?
The InChIKey is FCMCMLPIXUWPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-13-26(14-3-1)37-38-33-20-10-11-21-34(33)39(37)36-31-18-8-6-16-29(31)35(30-17-7-9-19-32(30)36)28-23-22-25-12-4-5-15-27(25)24-28/h1-24H.
What are the key properties of 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole?
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole has a molecular weight of 496.61 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole is sourced from PubChem (CID 166510005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).