2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene

C44H53Cl — CID 138569718

IUPAC2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(Cl)ccc3-4)cc21
InChIInChI=1S/C44H53Cl/c1-5-7-9-11-13-17-27-44(28-18-14-12-10-8-6-2)39-20-16-15-19-35(39)38-25-22-33(30-42(38)44)32-21-24-36-37-26-23-34(45)31-41(37)43(3,4)40(36)29-32/h15-16,19-26,29-31H,5-14,17-18,27-28H2,1-4H3
InChIKeyJFVQVINXILOSCC-UHFFFAOYSA-N
MW617.36 g/mol
LogP14.08
Rot. Bonds15

About 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene

2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene (PubChem CID 138569718) has the molecular formula C44H53Cl and a molecular weight of 617.36 g/mol. Its IUPAC name is 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
PubChem CID138569718
Molecular FormulaC44H53Cl
Molecular Weight617.36 g/mol
Exact Mass616.38
IUPAC Name2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(Cl)ccc3-4)cc21
InChIInChI=1S/C44H53Cl/c1-5-7-9-11-13-17-27-44(28-18-14-12-10-8-6-2)39-20-16-15-19-35(39)38-25-22-33(30-42(38)44)32-21-24-36-37-26-23-34(45)31-41(37)43(3,4)40(36)29-32/h15-16,19-26,29-31H,5-14,17-18,27-28H2,1-4H3
InChIKeyJFVQVINXILOSCC-UHFFFAOYSA-N
XLogP14.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.36
LogP ≤ 514.08
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

2-chloro-8-[4-[7-[7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-5,9,9-trimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6,6,12,12-tetraoctylindeno[1,2-b]fluorene
CID 169036242
7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
CID 169036189
7-[4-[7-[7-[4-[7-[7-(4-chlorophenyl)-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
CID 169036237
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-(4-bromo-3,5-dimethylphenyl)-7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 145436592
9-chloro-5-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 155088849
2-[9,9-dimethyl-7-(4-methylnaphthalen-1-yl)fluoren-2-yl]-7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluorene
CID 169036311
22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene
CID 146436897
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene?
The IUPAC name of 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene (CID 138569718) is 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene?
The canonical SMILES for 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(Cl)ccc3-4)cc21.
What is the InChIKey of 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene?
The InChIKey is JFVQVINXILOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H53Cl/c1-5-7-9-11-13-17-27-44(28-18-14-12-10-8-6-2)39-20-16-15-19-35(39)38-25-22-33(30-42(38)44)32-21-24-36-37-26-23-34(45)31-41(37)43(3,4)40(36)29-32/h15-16,19-26,29-31H,5-14,17-18,27-28H2,1-4H3.
What are the key properties of 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene?
2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene has a molecular weight of 617.36 g/mol, XLogP of 14.08, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 138569718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).