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

C37H42 — CID 123676884

IUPAC9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc(C2(c3ccc(C)c(CCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1C
InChIInChI=1S/C37H42/c1-7-9-11-29-23-31(17-15-27(29)5)37(32-18-16-28(6)30(24-32)12-10-8-2)35-21-25(3)13-19-33(35)34-20-14-26(4)22-36(34)37/h13-24H,7-12H2,1-6H3
InChIKeyCLDJWMCOVCVKJU-UHFFFAOYSA-N
MW486.74 g/mol
LogP9.97
Rot. Bonds8

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

9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene (PubChem CID 123676884) has the molecular formula C37H42 and a molecular weight of 486.74 g/mol. Its IUPAC name is 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
PubChem CID123676884
Molecular FormulaC37H42
Molecular Weight486.74 g/mol
Exact Mass486.33
IUPAC Name9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc(C2(c3ccc(C)c(CCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1C
InChIInChI=1S/C37H42/c1-7-9-11-29-23-31(17-15-27(29)5)37(32-18-16-28(6)30(24-32)12-10-8-2)35-21-25(3)13-19-33(35)34-20-14-26(4)22-36(34)37/h13-24H,7-12H2,1-6H3
InChIKeyCLDJWMCOVCVKJU-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene
CID 158300684
9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
CID 71142885
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
CID 140603360
9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
CID 157347583
3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene
CID 159200937
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
2-butyl-4-[9-(3-butyl-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 18410576
9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
CID 59821626
3,6-dibutyl-2,7,9-trimethyl-9-(3-methylphenyl)fluorene;3,6-diethyl-2,7,9-trimethyl-9-(3-methylphenyl)fluorene;9-(3,5-dimethylphenyl)-2,3,7,9-tetramethylfluorene;2,3,6,7,9-pentamethyl-9-(3-methylphenyl)fluorene;2,3,7,9-tetramethyl-9-(3-methylphenyl)fluorene
CID 158048034

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene (CID 123676884) is 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene is CCCCc1cc(C2(c3ccc(C)c(CCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1C.
What is the InChIKey of 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene?
The InChIKey is CLDJWMCOVCVKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42/c1-7-9-11-29-23-31(17-15-27(29)5)37(32-18-16-28(6)30(24-32)12-10-8-2)35-21-25(3)13-19-33(35)34-20-14-26(4)22-36(34)37/h13-24H,7-12H2,1-6H3.
What are the key properties of 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene?
9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene has a molecular weight of 486.74 g/mol, XLogP of 9.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 123676884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).