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

C68H46 — CID 169295746

IUPAC4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESc1ccc(-c2ccc(C(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc2)cc1
InChIInChI=1S/C68H46/c1-4-18-44(19-5-1)45-34-36-46(37-35-45)65(50-38-39-57-56-29-14-15-33-63(56)68(64(57)43-50,51-23-6-2-7-24-51)52-25-8-3-9-26-52)59-32-16-22-49-42-62-61(66(49)59)41-48-21-11-13-28-54(48)67(62)58-31-17-30-55-53-27-12-10-20-47(53)40-60(55)58/h1-39,41,43,65H,40,42H2
InChIKeyLYCPEGQJIWFPBL-UHFFFAOYSA-N
MW863.12 g/mol
LogP16.86
Rot. Bonds7

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

4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (PubChem CID 169295746) has the molecular formula C68H46 and a molecular weight of 863.12 g/mol. Its IUPAC name is 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.

Molecular Properties

Compound Name4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
PubChem CID169295746
Molecular FormulaC68H46
Molecular Weight863.12 g/mol
Exact Mass862.36
IUPAC Name4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESc1ccc(-c2ccc(C(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc2)cc1
InChIInChI=1S/C68H46/c1-4-18-44(19-5-1)45-34-36-46(37-35-45)65(50-38-39-57-56-29-14-15-33-63(56)68(64(57)43-50,51-23-6-2-7-24-51)52-25-8-3-9-26-52)59-32-16-22-49-42-62-61(66(49)59)41-48-21-11-13-28-54(48)67(62)58-31-17-30-55-53-27-12-10-20-47(53)40-60(55)58/h1-39,41,43,65H,40,42H2
InChIKeyLYCPEGQJIWFPBL-UHFFFAOYSA-N
XLogP16.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.12
LogP ≤ 516.86
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-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene with MolForge

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Related Compounds

2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169296171
10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
CID 169296259
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-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295710
2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
CID 142604775
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-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene
CID 176786196
6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene
CID 155609383
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291

Frequently Asked Questions

What is the IUPAC name of 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The IUPAC name of 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (CID 169295746) is 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.
What is the SMILES notation for 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The canonical SMILES for 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is c1ccc(-c2ccc(C(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc2)cc1.
What is the InChIKey of 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The InChIKey is LYCPEGQJIWFPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46/c1-4-18-44(19-5-1)45-34-36-46(37-35-45)65(50-38-39-57-56-29-14-15-33-63(56)68(64(57)43-50,51-23-6-2-7-24-51)52-25-8-3-9-26-52)59-32-16-22-49-42-62-61(66(49)59)41-48-21-11-13-28-54(48)67(62)58-31-17-30-55-53-27-12-10-20-47(53)40-60(55)58/h1-39,41,43,65H,40,42H2.
What are the key properties of 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene has a molecular weight of 863.12 g/mol, XLogP of 16.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is sourced from PubChem (CID 169295746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).