9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene

C43H52F2 — CID 71142885

IUPAC9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc(C2(c3cc(CCCC)c(F)c(CCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc(CCCC)c1F
InChIInChI=1S/C43H52F2/c1-7-11-15-31-25-35(26-32(41(31)44)16-12-8-2)43(36-27-33(17-13-9-3)42(45)34(28-36)18-14-10-4)39-23-29(5)19-21-37(39)38-22-20-30(6)24-40(38)43/h19-28H,7-18H2,1-6H3
InChIKeyLDLXMPXRQUEBBX-UHFFFAOYSA-N
MW606.89 g/mol
LogP12.32
Rot. Bonds14

About 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene

9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene (PubChem CID 71142885) has the molecular formula C43H52F2 and a molecular weight of 606.89 g/mol. Its IUPAC name is 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
PubChem CID71142885
Molecular FormulaC43H52F2
Molecular Weight606.89 g/mol
Exact Mass606.40
IUPAC Name9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc(C2(c3cc(CCCC)c(F)c(CCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc(CCCC)c1F
InChIInChI=1S/C43H52F2/c1-7-11-15-31-25-35(26-32(41(31)44)16-12-8-2)43(36-27-33(17-13-9-3)42(45)34(28-36)18-14-10-4)39-23-29(5)19-21-37(39)38-22-20-30(6)24-40(38)43/h19-28H,7-18H2,1-6H3
InChIKeyLDLXMPXRQUEBBX-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.89
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
CID 140603360
4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene
CID 158300684
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
CID 157347583
9,9-bis(3,5-diethylphenyl)-2,7-dimethylfluorene
CID 123424959
3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene
CID 159200937
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
9,9-bis(3-butan-2-yl-5-methylphenyl)-2,7-dimethylfluorene
CID 123187495
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene (CID 71142885) is 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene is CCCCc1cc(C2(c3cc(CCCC)c(F)c(CCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc(CCCC)c1F.
What is the InChIKey of 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene?
The InChIKey is LDLXMPXRQUEBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52F2/c1-7-11-15-31-25-35(26-32(41(31)44)16-12-8-2)43(36-27-33(17-13-9-3)42(45)34(28-36)18-14-10-4)39-23-29(5)19-21-37(39)38-22-20-30(6)24-40(38)43/h19-28H,7-18H2,1-6H3.
What are the key properties of 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene?
9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene has a molecular weight of 606.89 g/mol, XLogP of 12.32, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 71142885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).