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

C58H42 — CID 169295710

IUPAC2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc4c(c3)Cc3c-4cc4ccccc4c3-c3cccc4c3Cc3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H42/c1-58(2)54-26-13-12-22-47(54)48-30-28-40(35-55(48)58)56(49-23-11-10-19-42(49)36-15-4-3-5-16-36)39-27-29-44-41(31-39)34-53-51(44)33-38-18-7-9-21-45(38)57(53)50-25-14-24-46-43-20-8-6-17-37(43)32-52(46)50/h3-31,33,35,56H,32,34H2,1-2H3
InChIKeyMGNTVEJZWIHHIR-UHFFFAOYSA-N
MW738.97 g/mol
LogP14.80
Rot. Bonds5

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

2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (PubChem CID 169295710) has the molecular formula C58H42 and a molecular weight of 738.97 g/mol. Its IUPAC name is 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.

Molecular Properties

Compound Name2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
PubChem CID169295710
Molecular FormulaC58H42
Molecular Weight738.97 g/mol
Exact Mass738.33
IUPAC Name2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc4c(c3)Cc3c-4cc4ccccc4c3-c3cccc4c3Cc3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H42/c1-58(2)54-26-13-12-22-47(54)48-30-28-40(35-55(48)58)56(49-23-11-10-19-42(49)36-15-4-3-5-16-36)39-27-29-44-41(31-39)34-53-51(44)33-38-18-7-9-21-45(38)57(53)50-25-14-24-46-43-20-8-6-17-37(43)32-52(46)50/h3-31,33,35,56H,32,34H2,1-2H3
InChIKeyMGNTVEJZWIHHIR-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 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene with MolForge

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Related Compounds

4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295666
3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295471
2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295293
4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295746
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-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
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-[(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)-4-[naphthalen-2-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169296019
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 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The IUPAC name of 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (CID 169295710) is 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.
What is the SMILES notation for 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The canonical SMILES for 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is CC1(C)c2ccccc2-c2ccc(C(c3ccc4c(c3)Cc3c-4cc4ccccc4c3-c3cccc4c3Cc3ccccc3-4)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The InChIKey is MGNTVEJZWIHHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42/c1-58(2)54-26-13-12-22-47(54)48-30-28-40(35-55(48)58)56(49-23-11-10-19-42(49)36-15-4-3-5-16-36)39-27-29-44-41(31-39)34-53-51(44)33-38-18-7-9-21-45(38)57(53)50-25-14-24-46-43-20-8-6-17-37(43)32-52(46)50/h3-31,33,35,56H,32,34H2,1-2H3.
What are the key properties of 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
2-[(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 2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is sourced from PubChem (CID 169295710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).