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

C62H42 — CID 169296171

IUPAC2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESc1ccc(C(c2ccc3c(c2)Cc2c-3cc3ccccc3c2-c2cccc3c2Cc2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C62H42/c1-4-17-40(18-5-1)60(44-32-34-53-52-27-14-15-30-58(52)62(59(53)39-44,46-21-6-2-7-22-46)47-23-8-3-9-24-47)43-31-33-49-45(35-43)38-57-55(49)37-42-20-11-13-26-50(42)61(57)54-29-16-28-51-48-25-12-10-19-41(48)36-56(51)54/h1-35,37,39,60H,36,38H2
InChIKeyITOURJBQPUETKG-UHFFFAOYSA-N
MW787.02 g/mol
LogP15.19
Rot. Bonds6

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

2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (PubChem CID 169296171) has the molecular formula C62H42 and a molecular weight of 787.02 g/mol. Its IUPAC name is 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.

Molecular Properties

Compound Name2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
PubChem CID169296171
Molecular FormulaC62H42
Molecular Weight787.02 g/mol
Exact Mass786.33
IUPAC Name2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESc1ccc(C(c2ccc3c(c2)Cc2c-3cc3ccccc3c2-c2cccc3c2Cc2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C62H42/c1-4-17-40(18-5-1)60(44-32-34-53-52-27-14-15-30-58(52)62(59(53)39-44,46-21-6-2-7-22-46)47-23-8-3-9-24-47)43-31-33-49-45(35-43)38-57-55(49)37-42-20-11-13-26-50(42)61(57)54-29-16-28-51-48-25-12-10-19-41(48)36-56(51)54/h1-35,37,39,60H,36,38H2
InChIKeyITOURJBQPUETKG-UHFFFAOYSA-N
XLogP15.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 515.19
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-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene with MolForge

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Related Compounds

4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295746
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
4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295666
10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
CID 169296259
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
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
6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran
CID 158401172
5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014713

Frequently Asked Questions

What is the IUPAC name of 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The IUPAC name of 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (CID 169296171) is 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.
What is the SMILES notation for 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The canonical SMILES for 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is c1ccc(C(c2ccc3c(c2)Cc2c-3cc3ccccc3c2-c2cccc3c2Cc2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The InChIKey is ITOURJBQPUETKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42/c1-4-17-40(18-5-1)60(44-32-34-53-52-27-14-15-30-58(52)62(59(53)39-44,46-21-6-2-7-22-46)47-23-8-3-9-24-47)43-31-33-49-45(35-43)38-57-55(49)37-42-20-11-13-26-50(42)61(57)54-29-16-28-51-48-25-12-10-19-41(48)36-56(51)54/h1-35,37,39,60H,36,38H2.
What are the key properties of 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene has a molecular weight of 787.02 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is sourced from PubChem (CID 169296171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).