2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene

C62H66 — CID 58251073

IUPAC2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene
SMILESCCCCC1(CCCC)c2cc(Cc3ccccc3)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C(CCCC)(CCCC)c4cc(Cc6ccccc6)ccc4-5)c3)cc21
InChIInChI=1S/C62H66/c1-5-9-34-61(35-10-6-2)57-40-47(38-45-20-15-13-16-21-45)26-30-53(57)55-32-28-51(43-59(55)61)49-24-19-25-50(42-49)52-29-33-56-54-31-27-48(39-46-22-17-14-18-23-46)41-58(54)62(36-11-7-3,37-12-8-4)60(56)44-52/h13-33,40-44H,5-12,34-39H2,1-4H3
InChIKeyHJUXKURVCFBLTO-UHFFFAOYSA-N
MW811.21 g/mol
LogP17.50
Rot. Bonds18

About 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene

2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene (PubChem CID 58251073) has the molecular formula C62H66 and a molecular weight of 811.21 g/mol. Its IUPAC name is 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene.

Molecular Properties

Compound Name2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene
PubChem CID58251073
Molecular FormulaC62H66
Molecular Weight811.21 g/mol
Exact Mass810.52
IUPAC Name2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene
SMILESCCCCC1(CCCC)c2cc(Cc3ccccc3)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C(CCCC)(CCCC)c4cc(Cc6ccccc6)ccc4-5)c3)cc21
InChIInChI=1S/C62H66/c1-5-9-34-61(35-10-6-2)57-40-47(38-45-20-15-13-16-21-45)26-30-53(57)55-32-28-51(43-59(55)61)49-24-19-25-50(42-49)52-29-33-56-54-31-27-48(39-46-22-17-14-18-23-46)41-58(54)62(36-11-7-3,37-12-8-4)60(56)44-52/h13-33,40-44H,5-12,34-39H2,1-4H3
InChIKeyHJUXKURVCFBLTO-UHFFFAOYSA-N
XLogP17.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.21
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene 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

4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline
CID 58371037
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
CID 166060136
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
2-phenyl-9,9-dipropylfluorene
CID 154114384
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
CID 102430700
2-[9,9-dihexyl-7-[5-(4-methylphenyl)thiophen-2-yl]fluoren-2-yl]-5-phenylthiophene
CID 132550965
3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
CID 102583704
2-[4-[9,9-dihexyl-7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101441891
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene?
The IUPAC name of 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene (CID 58251073) is 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene.
What is the SMILES notation for 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene?
The canonical SMILES for 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene is CCCCC1(CCCC)c2cc(Cc3ccccc3)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C(CCCC)(CCCC)c4cc(Cc6ccccc6)ccc4-5)c3)cc21.
What is the InChIKey of 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene?
The InChIKey is HJUXKURVCFBLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H66/c1-5-9-34-61(35-10-6-2)57-40-47(38-45-20-15-13-16-21-45)26-30-53(57)55-32-28-51(43-59(55)61)49-24-19-25-50(42-49)52-29-33-56-54-31-27-48(39-46-22-17-14-18-23-46)41-58(54)62(36-11-7-3,37-12-8-4)60(56)44-52/h13-33,40-44H,5-12,34-39H2,1-4H3.
What are the key properties of 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene?
2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene has a molecular weight of 811.21 g/mol, XLogP of 17.50, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene is sourced from PubChem (CID 58251073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).