2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine

C56H36N2 — CID 167411883

IUPAC2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine
SMILESCc1cccc2ccc3cccc(-c4cccc5ccc6cc(-c7ccc(-c8c9ccccc9c(-c9cn%10ccccc%10n9)c9ccccc89)cc7)ccc6c45)c3c12
InChIInChI=1S/C56H36N2/c1-35-11-8-12-37-26-27-39-14-10-20-47(55(39)52(35)37)46-19-9-13-38-28-29-42-33-41(30-31-43(42)53(38)46)36-22-24-40(25-23-36)54-44-15-2-4-17-48(44)56(49-18-5-3-16-45(49)54)50-34-58-32-7-6-21-51(58)57-50/h2-34H,1H3
InChIKeyOYVITTRSLVMULU-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.23
Rot. Bonds4

About 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine

2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine (PubChem CID 167411883) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine
PubChem CID167411883
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine
SMILESCc1cccc2ccc3cccc(-c4cccc5ccc6cc(-c7ccc(-c8c9ccccc9c(-c9cn%10ccccc%10n9)c9ccccc89)cc7)ccc6c45)c3c12
InChIInChI=1S/C56H36N2/c1-35-11-8-12-37-26-27-39-14-10-20-47(55(39)52(35)37)46-19-9-13-38-28-29-42-33-41(30-31-43(42)53(38)46)36-22-24-40(25-23-36)54-44-15-2-4-17-48(44)56(49-18-5-3-16-45(49)54)50-34-58-32-7-6-21-51(58)57-50/h2-34H,1H3
InChIKeyOYVITTRSLVMULU-UHFFFAOYSA-N
XLogP15.23
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[10-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)anthracen-9-yl]imidazo[1,2-a]pyridine
CID 167413167
3-[4-[10-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]anthracen-9-yl]phenyl]quinoline
CID 167410609
3-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-6-phenylpyridazine
CID 167410398
2-methyl-1-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]benzimidazole
CID 167411349
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
CID 167412782
2-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 167411854
5-[4-[6-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-2-yl]phenyl]-2,3-diphenylpyrazine
CID 167411991
2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine
CID 137493491
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-1-phenylbenzimidazole
CID 167412155
9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
CID 58194402
2-[4-[10-[4-[10-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-7-phenylimidazo[1,2-a]pyridine;6-phenyl-2-[4-[10-[4-[10-[4-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 158282374
1-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-2-phenylbenzimidazole
CID 167412810

Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine (CID 167411883) is 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine is Cc1cccc2ccc3cccc(-c4cccc5ccc6cc(-c7ccc(-c8c9ccccc9c(-c9cn%10ccccc%10n9)c9ccccc89)cc7)ccc6c45)c3c12.
What is the InChIKey of 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine?
The InChIKey is OYVITTRSLVMULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-35-11-8-12-37-26-27-39-14-10-20-47(55(39)52(35)37)46-19-9-13-38-28-29-42-33-41(30-31-43(42)53(38)46)36-22-24-40(25-23-36)54-44-15-2-4-17-48(44)56(49-18-5-3-16-45(49)54)50-34-58-32-7-6-21-51(58)57-50/h2-34H,1H3.
What are the key properties of 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine?
2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine has a molecular weight of 736.92 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]anthracen-9-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 167411883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).