3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene

C39H46 — CID 159200937

IUPAC3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc2c(cc1C)C(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)c1cc(C)c(CCCC)cc1-2
InChIInChI=1S/C39H46/c1-9-11-13-31-23-35-36-24-32(14-12-10-2)30(8)22-38(36)39(37(35)21-29(31)7,33-17-25(3)15-26(4)18-33)34-19-27(5)16-28(6)20-34/h15-24H,9-14H2,1-8H3
InChIKeyWBTPEOHAYWQSOH-UHFFFAOYSA-N
MW514.80 g/mol
LogP10.59
Rot. Bonds8

About 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene

3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene (PubChem CID 159200937) has the molecular formula C39H46 and a molecular weight of 514.80 g/mol. Its IUPAC name is 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene
PubChem CID159200937
Molecular FormulaC39H46
Molecular Weight514.80 g/mol
Exact Mass514.36
IUPAC Name3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc2c(cc1C)C(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)c1cc(C)c(CCCC)cc1-2
InChIInChI=1S/C39H46/c1-9-11-13-31-23-35-36-24-32(14-12-10-2)30(8)22-38(36)39(37(35)21-29(31)7,33-17-25(3)15-26(4)18-33)34-19-27(5)16-28(6)20-34/h15-24H,9-14H2,1-8H3
InChIKeyWBTPEOHAYWQSOH-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-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
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
3,6-dibutyl-9-(3,5-dimethylphenyl)-2,7,9-trimethylfluorene;9-(3,5-dimethylphenyl)-3,6-diethyl-2,7,9-trimethylfluorene;9-(3,5-dimethylphenyl)-2,3,6,7,9-pentamethylfluorene;9-(3,5-dimethylphenyl)-2,3,7,9-tetramethylfluorene;2,3,6,7,9-pentamethyl-9-(3-methylphenyl)fluorene
CID 161396249
9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
CID 71142885
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[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene
CID 123568014
2-butyl-1,3,5-trimethylbenzene
CID 527298
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
9,9-bis(3,5-dihexylphenyl)-2,7-bis(2,4,6-trimethylphenyl)fluorene
CID 140680477
9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
CID 140603360

Frequently Asked Questions

What is the IUPAC name of 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene (CID 159200937) is 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene is CCCCc1cc2c(cc1C)C(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)c1cc(C)c(CCCC)cc1-2.
What is the InChIKey of 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene?
The InChIKey is WBTPEOHAYWQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46/c1-9-11-13-31-23-35-36-24-32(14-12-10-2)30(8)22-38(36)39(37(35)21-29(31)7,33-17-25(3)15-26(4)18-33)34-19-27(5)16-28(6)20-34/h15-24H,9-14H2,1-8H3.
What are the key properties of 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene?
3,6-dibutyl-9,9-bis(3,5-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 3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 159200937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).