1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole

C48H37N — CID 89144288

IUPAC1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(N4C(c5ccccc5)=CCC4c4ccccc4)cc23)cc1C
InChIInChI=1S/C48H37N/c1-32-24-25-37(30-33(32)2)47-41-21-11-12-22-42(41)48(40-23-13-19-34-14-9-10-20-39(34)40)43-27-26-38(31-44(43)47)49-45(35-15-5-3-6-16-35)28-29-46(49)36-17-7-4-8-18-36/h3-28,30-31,46H,29H2,1-2H3
InChIKeyABFPTVLFZMRYTM-UHFFFAOYSA-N
MW627.83 g/mol
LogP13.09
Rot. Bonds5

About 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole

1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole (PubChem CID 89144288) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
PubChem CID89144288
Molecular FormulaC48H37N
Molecular Weight627.83 g/mol
Exact Mass627.29
IUPAC Name1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(N4C(c5ccccc5)=CCC4c4ccccc4)cc23)cc1C
InChIInChI=1S/C48H37N/c1-32-24-25-37(30-33(32)2)47-41-21-11-12-22-42(41)48(40-23-13-19-34-14-9-10-20-39(34)40)43-27-26-38(31-44(43)47)49-45(35-15-5-3-6-16-35)28-29-46(49)36-17-7-4-8-18-36/h3-28,30-31,46H,29H2,1-2H3
InChIKeyABFPTVLFZMRYTM-UHFFFAOYSA-N
XLogP13.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole 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-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine
CID 89144110
1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
CID 89144264
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220925
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
1-[9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine;1-[9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 158579064
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939

Frequently Asked Questions

What is the IUPAC name of 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?
The IUPAC name of 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole (CID 89144288) is 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?
The canonical SMILES for 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole is Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(N4C(c5ccccc5)=CCC4c4ccccc4)cc23)cc1C.
What is the InChIKey of 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?
The InChIKey is ABFPTVLFZMRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N/c1-32-24-25-37(30-33(32)2)47-41-21-11-12-22-42(41)48(40-23-13-19-34-14-9-10-20-39(34)40)43-27-26-38(31-44(43)47)49-45(35-15-5-3-6-16-35)28-29-46(49)36-17-7-4-8-18-36/h3-28,30-31,46H,29H2,1-2H3.
What are the key properties of 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole?
1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole has a molecular weight of 627.83 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole is sourced from PubChem (CID 89144288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).