5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole

C46H34N2 — CID 59010693

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21
InChIInChI=1S/C46H34N2/c1-30(2)48-43-27-26-37(29-42(43)47-46(48)34-23-20-33(21-24-34)31-12-4-3-5-13-31)45-40-18-10-8-16-38(40)44(39-17-9-11-19-41(39)45)36-25-22-32-14-6-7-15-35(32)28-36/h3-30H,1-2H3
InChIKeyWDJNMFHQDANPNO-UHFFFAOYSA-N
MW614.79 g/mol
LogP12.74
Rot. Bonds5

About 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole

5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole (PubChem CID 59010693) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole
PubChem CID59010693
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21
InChIInChI=1S/C46H34N2/c1-30(2)48-43-27-26-37(29-42(43)47-46(48)34-23-20-33(21-24-34)31-12-4-3-5-13-31)45-40-18-10-8-16-38(40)44(39-17-9-11-19-41(39)45)36-25-22-32-14-6-7-15-35(32)28-36/h3-30H,1-2H3
InChIKeyWDJNMFHQDANPNO-UHFFFAOYSA-N
XLogP12.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 512.74
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-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole
CID 59010715
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
CID 166510005
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
9-[10-(3-phenylphenyl)anthracen-9-yl]-7-propan-2-ylbenzo[c]carbazole
CID 176777720
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole (CID 59010693) is 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole is CC(C)n1c(-c2ccc(-c3ccccc3)cc2)nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole?
The InChIKey is WDJNMFHQDANPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-30(2)48-43-27-26-37(29-42(43)47-46(48)34-23-20-33(21-24-34)31-12-4-3-5-13-31)45-40-18-10-8-16-38(40)44(39-17-9-11-19-41(39)45)36-25-22-32-14-6-7-15-35(32)28-36/h3-30H,1-2H3.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole?
5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole has a molecular weight of 614.79 g/mol, XLogP of 12.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-naphthalen-2-ylanthracen-9-yl)-2-(4-phenylphenyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 59010693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).