9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene

C62H70 — CID 59687234

IUPAC9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
SMILESC=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-5)cc32)cc1
InChIInChI=1S/C62H70/c1-7-11-13-15-17-19-37-61(38-20-18-16-14-12-8-2)57-39-45(5)21-33-53(57)55-35-31-51(41-59(55)61)52-32-36-56-54-34-22-46(6)40-58(54)62(60(56)42-52,43-49-27-23-47(9-3)24-28-49)44-50-29-25-48(10-4)26-30-50/h9-10,21-36,39-42H,3-4,7-8,11-20,37-38,43-44H2,1-2,5-6H3
InChIKeyRJSFPPHYSSSSGQ-UHFFFAOYSA-N
MW815.24 g/mol
LogP17.78
Rot. Bonds21

About 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene

9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene (PubChem CID 59687234) has the molecular formula C62H70 and a molecular weight of 815.24 g/mol. Its IUPAC name is 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene.

Molecular Properties

Compound Name9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
PubChem CID59687234
Molecular FormulaC62H70
Molecular Weight815.24 g/mol
Exact Mass814.55
IUPAC Name9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
SMILESC=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-5)cc32)cc1
InChIInChI=1S/C62H70/c1-7-11-13-15-17-19-37-61(38-20-18-16-14-12-8-2)57-39-45(5)21-33-53(57)55-35-31-51(41-59(55)61)52-32-36-56-54-34-22-46(6)40-58(54)62(60(56)42-52,43-49-27-23-47(9-3)24-28-49)44-50-29-25-48(10-4)26-30-50/h9-10,21-36,39-42H,3-4,7-8,11-20,37-38,43-44H2,1-2,5-6H3
InChIKeyRJSFPPHYSSSSGQ-UHFFFAOYSA-N
XLogP17.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.24
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene with MolForge

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Related Compounds

2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
4-[4-(4-butyl-N-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]anilino)phenyl]benzaldehyde;4-(7-methyl-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 91409805
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene;2,7-dimethyl-9-octyl-9H-fluorene
CID 159194802
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
7-[7-(7-formyl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene-2-carbaldehyde
CID 23624923
2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]triphenylene
CID 140686917
9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
CID 134370848
5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine
CID 58904109
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene?
The IUPAC name of 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene (CID 59687234) is 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene.
What is the SMILES notation for 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene?
The canonical SMILES for 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene is C=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-5)cc32)cc1.
What is the InChIKey of 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene?
The InChIKey is RJSFPPHYSSSSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H70/c1-7-11-13-15-17-19-37-61(38-20-18-16-14-12-8-2)57-39-45(5)21-33-53(57)55-35-31-51(41-59(55)61)52-32-36-56-54-34-22-46(6)40-58(54)62(60(56)42-52,43-49-27-23-47(9-3)24-28-49)44-50-29-25-48(10-4)26-30-50/h9-10,21-36,39-42H,3-4,7-8,11-20,37-38,43-44H2,1-2,5-6H3.
What are the key properties of 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene?
9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene has a molecular weight of 815.24 g/mol, XLogP of 17.78, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene is sourced from PubChem (CID 59687234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).