5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine

C37H27N — CID 143250615

IUPAC5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine
SMILESC1=C(c2ccccc2)C(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)=CNC1
InChIInChI=1S/C37H27N/c1-4-12-26(13-5-1)30-22-23-38-25-35(30)29-20-21-33-34(24-29)37(28-16-8-3-9-17-28)32-19-11-10-18-31(32)36(33)27-14-6-2-7-15-27/h1-22,24-25,38H,23H2
InChIKeyTWQZOKVRPCHRIF-UHFFFAOYSA-N
MW485.63 g/mol
LogP9.35
Rot. Bonds4

About 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine

5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine (PubChem CID 143250615) has the molecular formula C37H27N and a molecular weight of 485.63 g/mol. Its IUPAC name is 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine
PubChem CID143250615
Molecular FormulaC37H27N
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC Name5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine
SMILESC1=C(c2ccccc2)C(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)=CNC1
InChIInChI=1S/C37H27N/c1-4-12-26(13-5-1)30-22-23-38-25-35(30)29-20-21-33-34(24-29)37(28-16-8-3-9-17-28)32-19-11-10-18-31(32)36(33)27-14-6-2-7-15-27/h1-22,24-25,38H,23H2
InChIKeyTWQZOKVRPCHRIF-UHFFFAOYSA-N
XLogP9.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine 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

2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
2-bromo-9,10-diphenylanthracene
CID 22247163
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine
CID 144687175

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine?
The IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine (CID 143250615) is 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine.
What is the SMILES notation for 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine?
The canonical SMILES for 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine is C1=C(c2ccccc2)C(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)=CNC1.
What is the InChIKey of 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine?
The InChIKey is TWQZOKVRPCHRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N/c1-4-12-26(13-5-1)30-22-23-38-25-35(30)29-20-21-33-34(24-29)37(28-16-8-3-9-17-28)32-19-11-10-18-31(32)36(33)27-14-6-2-7-15-27/h1-22,24-25,38H,23H2.
What are the key properties of 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine?
5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine has a molecular weight of 485.63 g/mol, XLogP of 9.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-diphenylanthracen-2-yl)-4-phenyl-1,2-dihydropyridine is sourced from PubChem (CID 143250615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).