1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene

C74H94 — CID 162165852

IUPAC1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c3c(c2C)Cc2c(C)c(-c4c(C)c(C)c(C)c(C)c4C)c(C)c(C)c2-3)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C41H50.C21H26.C12H18/c1-18-20(3)24(7)36(25(8)21(18)4)38-28(11)30(13)40-34(32(38)15)17-35-33(16)39(29(12)31(14)41(35)40)37-26(9)22(5)19(2)23(6)27(37)10;1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-7-8(2)10(4)12(6)11(5)9(7)3/h17H2,1-16H3;9H2,1-8H3;1-6H3
InChIKeyZNCPHSOZVCBYKW-UHFFFAOYSA-N
MW983.57 g/mol
LogP20.79
Rot. Bonds2

About 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene

1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene (PubChem CID 162165852) has the molecular formula C74H94 and a molecular weight of 983.57 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
PubChem CID162165852
Molecular FormulaC74H94
Molecular Weight983.57 g/mol
Exact Mass982.74
IUPAC Name1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
SMILESCc1c(C)c(C)c(-c2c(C)c(C)c3c(c2C)Cc2c(C)c(-c4c(C)c(C)c(C)c(C)c4C)c(C)c(C)c2-3)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C41H50.C21H26.C12H18/c1-18-20(3)24(7)36(25(8)21(18)4)38-28(11)30(13)40-34(32(38)15)17-35-33(16)39(29(12)31(14)41(35)40)37-26(9)22(5)19(2)23(6)27(37)10;1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-7-8(2)10(4)12(6)11(5)9(7)3/h17H2,1-16H3;9H2,1-8H3;1-6H3
InChIKeyZNCPHSOZVCBYKW-UHFFFAOYSA-N
XLogP20.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.57
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
The IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene (CID 162165852) is 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene is Cc1c(C)c(C)c(-c2c(C)c(C)c3c(c2C)Cc2c(C)c(-c4c(C)c(C)c(C)c(C)c4C)c(C)c(C)c2-3)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1-2.
What is the InChIKey of 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
The InChIKey is ZNCPHSOZVCBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50.C21H26.C12H18/c1-18-20(3)24(7)36(25(8)21(18)4)38-28(11)30(13)40-34(32(38)15)17-35-33(16)39(29(12)31(14)41(35)40)37-26(9)22(5)19(2)23(6)27(37)10;1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)20;1-7-8(2)10(4)12(6)11(5)9(7)3/h17H2,1-16H3;9H2,1-8H3;1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene?
1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene has a molecular weight of 983.57 g/mol, XLogP of 20.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene is sourced from PubChem (CID 162165852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).