3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene

C55H36 — CID 166034195

IUPAC3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4cc(-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)c5)ccc4c32)cc1
InChIInChI=1S/C55H36/c1-3-17-48(18-4-1)55(49-19-5-2-6-20-49)53-22-12-11-21-51(53)52-30-28-44-33-43(27-29-50(44)54(52)55)47-35-45(41-25-23-37-13-7-9-15-39(37)31-41)34-46(36-47)42-26-24-38-14-8-10-16-40(38)32-42/h1-36H
InChIKeySHFWEVHODHZSKY-UHFFFAOYSA-N
MW696.89 g/mol
LogP14.51
Rot. Bonds5

About 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene

3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene (PubChem CID 166034195) has the molecular formula C55H36 and a molecular weight of 696.89 g/mol. Its IUPAC name is 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene.

Molecular Properties

Compound Name3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
PubChem CID166034195
Molecular FormulaC55H36
Molecular Weight696.89 g/mol
Exact Mass696.28
IUPAC Name3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4cc(-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)c5)ccc4c32)cc1
InChIInChI=1S/C55H36/c1-3-17-48(18-4-1)55(49-19-5-2-6-20-49)53-22-12-11-21-51(53)52-30-28-44-33-43(27-29-50(44)54(52)55)47-35-45(41-25-23-37-13-7-9-15-39(37)31-41)34-46(36-47)42-26-24-38-14-8-10-16-40(38)32-42/h1-36H
InChIKeySHFWEVHODHZSKY-UHFFFAOYSA-N
XLogP14.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.89
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene 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

3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158922421
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 155465388
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160936600
6-(7-naphthalen-2-ylpyren-2-yl)-11,11-diphenylbenzo[a]fluorene
CID 158356048
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
CID 166034115
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160720509
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465377

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene?
The IUPAC name of 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene (CID 166034195) is 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene.
What is the SMILES notation for 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene?
The canonical SMILES for 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4cc(-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)c5)ccc4c32)cc1.
What is the InChIKey of 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene?
The InChIKey is SHFWEVHODHZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36/c1-3-17-48(18-4-1)55(49-19-5-2-6-20-49)53-22-12-11-21-51(53)52-30-28-44-33-43(27-29-50(44)54(52)55)47-35-45(41-25-23-37-13-7-9-15-39(37)31-41)34-46(36-47)42-26-24-38-14-8-10-16-40(38)32-42/h1-36H.
What are the key properties of 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene?
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene has a molecular weight of 696.89 g/mol, XLogP of 14.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene is sourced from PubChem (CID 166034195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).