5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole

C40H30N2 — CID 58898406

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole
SMILESCCCc1nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2n1-c1ccccc1
InChIInChI=1S/C40H30N2/c1-2-12-38-41-36-26-30(23-24-37(36)42(38)31-15-4-3-5-16-31)40-34-19-10-8-17-32(34)39(33-18-9-11-20-35(33)40)29-22-21-27-13-6-7-14-28(27)25-29/h3-11,13-26H,2,12H2,1H3
InChIKeyMBQWTEKLEAUMGV-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.77
Rot. Bonds5

About 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole

5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole (PubChem CID 58898406) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole
PubChem CID58898406
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole
SMILESCCCc1nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2n1-c1ccccc1
InChIInChI=1S/C40H30N2/c1-2-12-38-41-36-26-30(23-24-37(36)42(38)31-15-4-3-5-16-31)40-34-19-10-8-17-32(34)39(33-18-9-11-20-35(33)40)29-22-21-27-13-6-7-14-28(27)25-29/h3-11,13-26H,2,12H2,1H3
InChIKeyMBQWTEKLEAUMGV-UHFFFAOYSA-N
XLogP10.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.77
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-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2-propylbenzimidazole
CID 87412328
2-ethyl-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235572
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
2-ethyl-5-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-1-phenylbenzimidazole
CID 167411007
2-ethyl-1-[6-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)naphthalen-2-yl]benzimidazole
CID 166043075
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
2-ethyl-5-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167410716
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
2-(1,1,2,2,2-pentadeuterioethyl)-1-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]benzimidazole
CID 169070426
1-[6-(9,10-diphenylanthracen-2-yl)naphthalen-2-yl]-2-ethylbenzimidazole
CID 170235698

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole (CID 58898406) is 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole is CCCc1nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2n1-c1ccccc1.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole?
The InChIKey is MBQWTEKLEAUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-2-12-38-41-36-26-30(23-24-37(36)42(38)31-15-4-3-5-16-31)40-34-19-10-8-17-32(34)39(33-18-9-11-20-35(33)40)29-22-21-27-13-6-7-14-28(27)25-29/h3-11,13-26H,2,12H2,1H3.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole?
5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole has a molecular weight of 538.69 g/mol, XLogP of 10.77, 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)-1-phenyl-2-propylbenzimidazole is sourced from PubChem (CID 58898406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).