9,9-didodecyl-2,7-diphenylfluorene

C49H66 — CID 139911375

IUPAC9,9-didodecyl-2,7-diphenylfluorene
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C49H66/c1-3-5-7-9-11-13-15-17-19-27-37-49(38-28-20-18-16-14-12-10-8-6-4-2)47-39-43(41-29-23-21-24-30-41)33-35-45(47)46-36-34-44(40-48(46)49)42-31-25-22-26-32-42/h21-26,29-36,39-40H,3-20,27-28,37-38H2,1-2H3
InChIKeyYSEZSEDAYSDXJZ-UHFFFAOYSA-N
MW655.07 g/mol
LogP15.91
Rot. Bonds24

About 9,9-didodecyl-2,7-diphenylfluorene

9,9-didodecyl-2,7-diphenylfluorene (PubChem CID 139911375) has the molecular formula C49H66 and a molecular weight of 655.07 g/mol. Its IUPAC name is 9,9-didodecyl-2,7-diphenylfluorene.

Molecular Properties

Compound Name9,9-didodecyl-2,7-diphenylfluorene
PubChem CID139911375
Molecular FormulaC49H66
Molecular Weight655.07 g/mol
Exact Mass654.52
IUPAC Name9,9-didodecyl-2,7-diphenylfluorene
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C49H66/c1-3-5-7-9-11-13-15-17-19-27-37-49(38-28-20-18-16-14-12-10-8-6-4-2)47-39-43(41-29-23-21-24-30-41)33-35-45(47)46-36-34-44(40-48(46)49)42-31-25-22-26-32-42/h21-26,29-36,39-40H,3-20,27-28,37-38H2,1-2H3
InChIKeyYSEZSEDAYSDXJZ-UHFFFAOYSA-N
XLogP15.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.07
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
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
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
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
2,7-dibromo-9,9-dioctylfluorene;9,9-dioctyl-2,7-diphenylfluorene;(9,9-dioctyl-7-trimethylstannylfluoren-2-yl)-trimethylstannane
CID 158576273
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644

Frequently Asked Questions

What is the IUPAC name of 9,9-didodecyl-2,7-diphenylfluorene?
The IUPAC name of 9,9-didodecyl-2,7-diphenylfluorene (CID 139911375) is 9,9-didodecyl-2,7-diphenylfluorene.
What is the SMILES notation for 9,9-didodecyl-2,7-diphenylfluorene?
The canonical SMILES for 9,9-didodecyl-2,7-diphenylfluorene is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9,9-didodecyl-2,7-diphenylfluorene?
The InChIKey is YSEZSEDAYSDXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H66/c1-3-5-7-9-11-13-15-17-19-27-37-49(38-28-20-18-16-14-12-10-8-6-4-2)47-39-43(41-29-23-21-24-30-41)33-35-45(47)46-36-34-44(40-48(46)49)42-31-25-22-26-32-42/h21-26,29-36,39-40H,3-20,27-28,37-38H2,1-2H3.
What are the key properties of 9,9-didodecyl-2,7-diphenylfluorene?
9,9-didodecyl-2,7-diphenylfluorene has a molecular weight of 655.07 g/mol, XLogP of 15.91, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-didodecyl-2,7-diphenylfluorene is sourced from PubChem (CID 139911375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).