9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene

C39H46 — CID 140603360

IUPAC9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1ccc(C2(c3ccc(CCCC)c(C)c3C)c3cc(C)ccc3-c3ccc(C)cc32)c(C)c1C
InChIInChI=1S/C39H46/c1-9-11-13-31-17-21-35(29(7)27(31)5)39(36-22-18-32(14-12-10-2)28(6)30(36)8)37-23-25(3)15-19-33(37)34-20-16-26(4)24-38(34)39/h15-24H,9-14H2,1-8H3
InChIKeyLAUZAYJWJQDOKL-UHFFFAOYSA-N
MW514.80 g/mol
LogP10.59
Rot. Bonds8

About 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene

9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene (PubChem CID 140603360) has the molecular formula C39H46 and a molecular weight of 514.80 g/mol. Its IUPAC name is 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
PubChem CID140603360
Molecular FormulaC39H46
Molecular Weight514.80 g/mol
Exact Mass514.36
IUPAC Name9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1ccc(C2(c3ccc(CCCC)c(C)c3C)c3cc(C)ccc3-c3ccc(C)cc32)c(C)c1C
InChIInChI=1S/C39H46/c1-9-11-13-31-17-21-35(29(7)27(31)5)39(36-22-18-32(14-12-10-2)28(6)30(36)8)37-23-25(3)15-19-33(37)34-20-16-26(4)24-38(34)39/h15-24H,9-14H2,1-8H3
InChIKeyLAUZAYJWJQDOKL-UHFFFAOYSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
CID 71142885
9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
CID 157347583
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(2,5-diethylphenyl)-2,7-dimethylfluorene
CID 140599706
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
2-butyl-5-methylbenzenethiol
CID 126697745
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene (CID 140603360) is 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene is CCCCc1ccc(C2(c3ccc(CCCC)c(C)c3C)c3cc(C)ccc3-c3ccc(C)cc32)c(C)c1C.
What is the InChIKey of 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene?
The InChIKey is LAUZAYJWJQDOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46/c1-9-11-13-31-17-21-35(29(7)27(31)5)39(36-22-18-32(14-12-10-2)28(6)30(36)8)37-23-25(3)15-19-33(37)34-20-16-26(4)24-38(34)39/h15-24H,9-14H2,1-8H3.
What are the key properties of 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene?
9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene has a molecular weight of 514.80 g/mol, XLogP of 10.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 140603360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).