1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole

C49H32N2 — CID 59010634

IUPAC1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C49H32N2/c1-2-13-33(14-3-1)35-25-28-36(29-26-35)49-50-45-23-10-11-24-46(45)51(49)40-18-12-17-38(32-40)47-41-19-6-8-21-43(41)48(44-22-9-7-20-42(44)47)39-30-27-34-15-4-5-16-37(34)31-39/h1-32H
InChIKeyQPCSCSLWKXMNSN-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.15
Rot. Bonds5

About 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole

1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole (PubChem CID 59010634) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
PubChem CID59010634
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C49H32N2/c1-2-13-33(14-3-1)35-25-28-36(29-26-35)49-50-45-23-10-11-24-46(45)51(49)40-18-12-17-38(32-40)47-41-19-6-8-21-43(41)48(44-22-9-7-20-42(44)47)39-30-27-34-15-4-5-16-37(34)31-39/h1-32H
InChIKeyQPCSCSLWKXMNSN-UHFFFAOYSA-N
XLogP13.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.15
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-[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-[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
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
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
CID 166510005
9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-[3-[6-[10-[4-(1-pyridin-2-ylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]benzimidazole
CID 134414845

Frequently Asked Questions

What is the IUPAC name of 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole?
The IUPAC name of 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole (CID 59010634) is 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole.
What is the SMILES notation for 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole?
The canonical SMILES for 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole is c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)cc2)cc1.
What is the InChIKey of 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole?
The InChIKey is QPCSCSLWKXMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-2-13-33(14-3-1)35-25-28-36(29-26-35)49-50-45-23-10-11-24-46(45)51(49)40-18-12-17-38(32-40)47-41-19-6-8-21-43(41)48(44-22-9-7-20-42(44)47)39-30-27-34-15-4-5-16-37(34)31-39/h1-32H.
What are the key properties of 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole?
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole has a molecular weight of 648.81 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole is sourced from PubChem (CID 59010634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).