2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine

C33H21BrN2 — CID 58175229

IUPAC2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESBrc1ccc2c(ccc3cc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C33H21BrN2/c34-28-16-18-30-27(21-28)14-13-26-20-25(15-17-29(26)30)22-9-11-23(12-10-22)32-33(24-6-2-1-3-7-24)36-19-5-4-8-31(36)35-32/h1-21H
InChIKeyCZQXTYQKKBGPTN-UHFFFAOYSA-N
MW525.45 g/mol
LogP9.40
Rot. Bonds3

About 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine

2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine (PubChem CID 58175229) has the molecular formula C33H21BrN2 and a molecular weight of 525.45 g/mol. Its IUPAC name is 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
PubChem CID58175229
Molecular FormulaC33H21BrN2
Molecular Weight525.45 g/mol
Exact Mass524.09
IUPAC Name2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESBrc1ccc2c(ccc3cc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C33H21BrN2/c34-28-16-18-30-27(21-28)14-13-26-20-25(15-17-29(26)30)22-9-11-23(12-10-22)32-33(24-6-2-1-3-7-24)36-19-5-4-8-31(36)35-32/h1-21H
InChIKeyCZQXTYQKKBGPTN-UHFFFAOYSA-N
XLogP9.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.45
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine (CID 58175229) is 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine is Brc1ccc2c(ccc3cc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)ccc32)c1.
What is the InChIKey of 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
The InChIKey is CZQXTYQKKBGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrN2/c34-28-16-18-30-27(21-28)14-13-26-20-25(15-17-29(26)30)22-9-11-23(12-10-22)32-33(24-6-2-1-3-7-24)36-19-5-4-8-31(36)35-32/h1-21H.
What are the key properties of 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine?
2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine has a molecular weight of 525.45 g/mol, XLogP of 9.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-bromophenanthren-2-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 58175229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).