2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene

C59H44 — CID 155609383

IUPAC2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C59H44/c1-58(2)52-30-16-14-26-47(52)48-38-37-43(39-55(48)58)56(42-35-33-41(34-36-42)40-19-6-3-7-20-40)49-27-13-12-25-46(49)50-29-18-32-54-57(50)51-28-15-17-31-53(51)59(54,44-21-8-4-9-22-44)45-23-10-5-11-24-45/h3-39,56H,1-2H3
InChIKeyWZZLMMXTMSRPDC-UHFFFAOYSA-N
MW753.00 g/mol
LogP14.87
Rot. Bonds7

About 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene

2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene (PubChem CID 155609383) has the molecular formula C59H44 and a molecular weight of 753.00 g/mol. Its IUPAC name is 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene
PubChem CID155609383
Molecular FormulaC59H44
Molecular Weight753.00 g/mol
Exact Mass752.34
IUPAC Name2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C59H44/c1-58(2)52-30-16-14-26-47(52)48-38-37-43(39-55(48)58)56(42-35-33-41(34-36-42)40-19-6-3-7-20-40)49-27-13-12-25-46(49)50-29-18-32-54-57(50)51-28-15-17-31-53(51)59(54,44-21-8-4-9-22-44)45-23-10-5-11-24-45/h3-39,56H,1-2H3
InChIKeyWZZLMMXTMSRPDC-UHFFFAOYSA-N
XLogP14.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.00
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 140941835
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295503
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
CID 165030326
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
CID 142604775
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170136504
N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193279

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene?
The IUPAC name of 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene (CID 155609383) is 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene?
The InChIKey is WZZLMMXTMSRPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44/c1-58(2)52-30-16-14-26-47(52)48-38-37-43(39-55(48)58)56(42-35-33-41(34-36-42)40-19-6-3-7-20-40)49-27-13-12-25-46(49)50-29-18-32-54-57(50)51-28-15-17-31-53(51)59(54,44-21-8-4-9-22-44)45-23-10-5-11-24-45/h3-39,56H,1-2H3.
What are the key properties of 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene?
2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene has a molecular weight of 753.00 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene is sourced from PubChem (CID 155609383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).