4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene

C58H42 — CID 169295666

IUPAC4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccccc3-c3ccccc3)c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc21
InChIInChI=1S/C58H42/c1-58(2)53-29-13-12-24-45(53)46-31-30-40(35-54(46)58)55(47-25-11-10-21-41(47)36-16-4-3-5-17-36)49-28-14-20-39-34-52-51(56(39)49)33-38-19-7-9-23-43(38)57(52)48-27-15-26-44-42-22-8-6-18-37(42)32-50(44)48/h3-31,33,35,55H,32,34H2,1-2H3
InChIKeyISSZCGAAXMHIAZ-UHFFFAOYSA-N
MW738.97 g/mol
LogP14.80
Rot. Bonds5

About 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene

4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (PubChem CID 169295666) has the molecular formula C58H42 and a molecular weight of 738.97 g/mol. Its IUPAC name is 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.

Molecular Properties

Compound Name4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
PubChem CID169295666
Molecular FormulaC58H42
Molecular Weight738.97 g/mol
Exact Mass738.33
IUPAC Name4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccccc3-c3ccccc3)c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc21
InChIInChI=1S/C58H42/c1-58(2)53-29-13-12-24-45(53)46-31-30-40(35-54(46)58)55(47-25-11-10-21-41(47)36-16-4-3-5-17-36)49-28-14-20-39-34-52-51(56(39)49)33-38-19-7-9-23-43(38)57(52)48-27-15-26-44-42-22-8-6-18-37(42)32-50(44)48/h3-31,33,35,55H,32,34H2,1-2H3
InChIKeyISSZCGAAXMHIAZ-UHFFFAOYSA-N
XLogP14.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]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

2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295710
3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295471
4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295746
10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
CID 169296259
6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295293
2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169296171
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295228
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylmethyl]naphtho[2,3-b][1]benzofuran
CID 169295937
1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
CID 143920877
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295503

Frequently Asked Questions

What is the IUPAC name of 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The IUPAC name of 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (CID 169295666) is 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.
What is the SMILES notation for 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The canonical SMILES for 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is CC1(C)c2ccccc2-c2ccc(C(c3ccccc3-c3ccccc3)c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc21.
What is the InChIKey of 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The InChIKey is ISSZCGAAXMHIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42/c1-58(2)53-29-13-12-24-45(53)46-31-30-40(35-54(46)58)55(47-25-11-10-21-41(47)36-16-4-3-5-17-36)49-28-14-20-39-34-52-51(56(39)49)33-38-19-7-9-23-43(38)57(52)48-27-15-26-44-42-22-8-6-18-37(42)32-50(44)48/h3-31,33,35,55H,32,34H2,1-2H3.
What are the key properties of 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene has a molecular weight of 738.97 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is sourced from PubChem (CID 169295666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).