2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole

C37H23BrN2 — CID 58894969

IUPAC2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole
SMILESBrc1c2ccccc2c(-c2ccc3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3c2)c2ccccc12
InChIInChI=1S/C37H23BrN2/c38-36-31-14-6-4-12-29(31)35(30-13-5-7-15-32(30)36)26-20-18-25-23-27(21-19-24(25)22-26)37-39-33-16-8-9-17-34(33)40(37)28-10-2-1-3-11-28/h1-23H
InChIKeyVZCRDQDCDLPNQG-UHFFFAOYSA-N
MW575.51 g/mol
LogP10.58
Rot. Bonds3

About 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole

2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole (PubChem CID 58894969) has the molecular formula C37H23BrN2 and a molecular weight of 575.51 g/mol. Its IUPAC name is 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole
PubChem CID58894969
Molecular FormulaC37H23BrN2
Molecular Weight575.51 g/mol
Exact Mass574.10
IUPAC Name2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole
SMILESBrc1c2ccccc2c(-c2ccc3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3c2)c2ccccc12
InChIInChI=1S/C37H23BrN2/c38-36-31-14-6-4-12-29(31)35(30-13-5-7-15-32(30)36)26-20-18-25-23-27(21-19-24(25)22-26)37-39-33-16-8-9-17-34(33)40(37)28-10-2-1-3-11-28/h1-23H
InChIKeyVZCRDQDCDLPNQG-UHFFFAOYSA-N
XLogP10.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.51
LogP ≤ 510.58
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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Frequently Asked Questions

What is the IUPAC name of 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole (CID 58894969) is 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole is Brc1c2ccccc2c(-c2ccc3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3c2)c2ccccc12.
What is the InChIKey of 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The InChIKey is VZCRDQDCDLPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrN2/c38-36-31-14-6-4-12-29(31)35(30-13-5-7-15-32(30)36)26-20-18-25-23-27(21-19-24(25)22-26)37-39-33-16-8-9-17-34(33)40(37)28-10-2-1-3-11-28/h1-23H.
What are the key properties of 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole has a molecular weight of 575.51 g/mol, XLogP of 10.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(10-bromoanthracen-9-yl)naphthalen-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 58894969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).