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

C136H152 — CID 161396249

IUPAC3,6-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
SMILESCCCCc1cc2c(cc1C)C(C)(c1cc(C)cc(C)c1)c1cc(C)c(CCCC)cc1-2.CCc1cc2c(cc1C)C(C)(c1cc(C)cc(C)c1)c1cc(C)c(CC)cc1-2.Cc1cc(C)cc(C2(C)c3cc(C)c(C)cc3-c3cc(C)c(C)cc32)c1.Cc1cc(C)cc(C2(C)c3cc(C)ccc3-c3cc(C)c(C)cc32)c1.Cc1cccc(C2(C)c3cc(C)c(C)cc3-c3cc(C)c(C)cc32)c1
InChIInChI=1S/C32H40.C28H32.C26H28.2C25H26/c1-8-10-12-25-19-28-29-20-26(13-11-9-2)24(6)18-31(29)32(7,30(28)17-23(25)5)27-15-21(3)14-22(4)16-27;1-8-21-15-24-25-16-22(9-2)20(6)14-27(25)28(7,26(24)13-19(21)5)23-11-17(3)10-18(4)12-23;1-15-8-16(2)10-21(9-15)26(7)24-13-19(5)17(3)11-22(24)23-12-18(4)20(6)14-25(23)26;1-15-7-8-21-22-13-18(4)19(5)14-24(22)25(6,23(21)12-15)20-10-16(2)9-17(3)11-20;1-15-8-7-9-20(10-15)25(6)23-13-18(4)16(2)11-21(23)22-12-17(3)19(5)14-24(22)25/h14-20H,8-13H2,1-7H3;10-16H,8-9H2,1-7H3;8-14H,1-7H3;2*7-14H,1-6H3
InChIKeyVTQFIEBGHBEQJZ-UHFFFAOYSA-N
MW1786.71 g/mol
LogP36.32
Rot. Bonds13

About 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

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 (PubChem CID 161396249) has the molecular formula C136H152 and a molecular weight of 1786.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID161396249
Molecular FormulaC136H152
Molecular Weight1786.71 g/mol
Exact Mass1785.19
IUPAC Name3,6-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
SMILESCCCCc1cc2c(cc1C)C(C)(c1cc(C)cc(C)c1)c1cc(C)c(CCCC)cc1-2.CCc1cc2c(cc1C)C(C)(c1cc(C)cc(C)c1)c1cc(C)c(CC)cc1-2.Cc1cc(C)cc(C2(C)c3cc(C)c(C)cc3-c3cc(C)c(C)cc32)c1.Cc1cc(C)cc(C2(C)c3cc(C)ccc3-c3cc(C)c(C)cc32)c1.Cc1cccc(C2(C)c3cc(C)c(C)cc3-c3cc(C)c(C)cc32)c1
InChIInChI=1S/C32H40.C28H32.C26H28.2C25H26/c1-8-10-12-25-19-28-29-20-26(13-11-9-2)24(6)18-31(29)32(7,30(28)17-23(25)5)27-15-21(3)14-22(4)16-27;1-8-21-15-24-25-16-22(9-2)20(6)14-27(25)28(7,26(24)13-19(21)5)23-11-17(3)10-18(4)12-23;1-15-8-16(2)10-21(9-15)26(7)24-13-19(5)17(3)11-22(24)23-12-18(4)20(6)14-25(23)26;1-15-7-8-21-22-13-18(4)19(5)14-24(22)25(6,23(21)12-15)20-10-16(2)9-17(3)11-20;1-15-8-7-9-20(10-15)25(6)23-13-18(4)16(2)11-21(23)22-12-17(3)19(5)14-24(22)25/h14-20H,8-13H2,1-7H3;10-16H,8-9H2,1-7H3;8-14H,1-7H3;2*7-14H,1-6H3
InChIKeyVTQFIEBGHBEQJZ-UHFFFAOYSA-N
XLogP36.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001786.71
LogP ≤ 536.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene
CID 159200937
9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
2-bromo-9-(3-hexyl-5-methylphenyl)-7,9-dimethylfluorene
CID 129263040
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine
CID 134392992
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-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
CID 155761642
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
CID 71142885

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1cc2c(cc1C)C(C)(c1cc(C)cc(C)c1)c1cc(C)c(CCCC)cc1-2.CCc1cc2c(cc1C)C(C)(c1cc(C)cc(C)c1)c1cc(C)c(CC)cc1-2.Cc1cc(C)cc(C2(C)c3cc(C)c(C)cc3-c3cc(C)c(C)cc32)c1.Cc1cc(C)cc(C2(C)c3cc(C)ccc3-c3cc(C)c(C)cc32)c1.Cc1cccc(C2(C)c3cc(C)c(C)cc3-c3cc(C)c(C)cc32)c1.
What is the InChIKey of 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?
The InChIKey is VTQFIEBGHBEQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40.C28H32.C26H28.2C25H26/c1-8-10-12-25-19-28-29-20-26(13-11-9-2)24(6)18-31(29)32(7,30(28)17-23(25)5)27-15-21(3)14-22(4)16-27;1-8-21-15-24-25-16-22(9-2)20(6)14-27(25)28(7,26(24)13-19(21)5)23-11-17(3)10-18(4)12-23;1-15-8-16(2)10-21(9-15)26(7)24-13-19(5)17(3)11-22(24)23-12-18(4)20(6)14-25(23)26;1-15-7-8-21-22-13-18(4)19(5)14-24(22)25(6,23(21)12-15)20-10-16(2)9-17(3)11-20;1-15-8-7-9-20(10-15)25(6)23-13-18(4)16(2)11-21(23)22-12-17(3)19(5)14-24(22)25/h14-20H,8-13H2,1-7H3;10-16H,8-9H2,1-7H3;8-14H,1-7H3;2*7-14H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1786.71 g/mol, XLogP of 36.32, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161396249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).