methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)

C109H128 — CID 160627023

IUPACmethane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)
SMILESC.C.Cc1cc2c(c(C)c1C)-c1ccccc1C2(C)C.Cc1cc2c(c(C)c1C)-c1ccccc1C2(C)C.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2.Cc1cc2ccccc2c(C)c1C.Cc1cc2ccccc2c(C)c1C.Cc1cccc(C)c1C
InChIInChI=1S/4C18H20.2C13H14.C9H12.2CH4/c2*1-11-10-15-14-8-6-7-9-16(14)18(4,5)17(15)13(3)12(11)2;2*1-11-10-16-17(13(3)12(11)2)14-8-6-7-9-15(14)18(16,4)5;2*1-9-8-12-6-4-5-7-13(12)11(3)10(9)2;1-7-5-4-6-8(2)9(7)3;;/h4*6-10H,1-5H3;2*4-8H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyRHLATHPFAASOLW-UHFFFAOYSA-N
MW1438.22 g/mol
LogP31.09
Rot. Bonds

About methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)

methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene) (PubChem CID 160627023) has the molecular formula C109H128 and a molecular weight of 1438.22 g/mol. Its IUPAC name is methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene).

Molecular Properties

Compound Namemethane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)
PubChem CID160627023
Molecular FormulaC109H128
Molecular Weight1438.22 g/mol
Exact Mass1437.00
IUPAC Namemethane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)
SMILESC.C.Cc1cc2c(c(C)c1C)-c1ccccc1C2(C)C.Cc1cc2c(c(C)c1C)-c1ccccc1C2(C)C.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2.Cc1cc2ccccc2c(C)c1C.Cc1cc2ccccc2c(C)c1C.Cc1cccc(C)c1C
InChIInChI=1S/4C18H20.2C13H14.C9H12.2CH4/c2*1-11-10-15-14-8-6-7-9-16(14)18(4,5)17(15)13(3)12(11)2;2*1-11-10-16-17(13(3)12(11)2)14-8-6-7-9-15(14)18(16,4)5;2*1-9-8-12-6-4-5-7-13(12)11(3)10(9)2;1-7-5-4-6-8(2)9(7)3;;/h4*6-10H,1-5H3;2*4-8H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyRHLATHPFAASOLW-UHFFFAOYSA-N
XLogP31.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001438.22
LogP ≤ 531.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene) with MolForge

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Related Compounds

2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene
CID 159155422
8,8-dimethylhexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-1(25),2,4,6,9,11,13,15,17,19,21,23-dodecaene
CID 123897654
7,7,12-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 134235778
6-bromo-11,11-dimethylbenzo[a]fluorene
CID 155318624
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
2-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 118427232
6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
CID 160961587
ethane;4,9,9-trimethylfluorene
CID 123917181
1,2,9,9-tetramethyl-3-phenylfluorene
CID 171799133
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000

Frequently Asked Questions

What is the IUPAC name of methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)?
The IUPAC name of methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene) (CID 160627023) is methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene).
What is the SMILES notation for methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)?
The canonical SMILES for methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene) is C.C.Cc1cc2c(c(C)c1C)-c1ccccc1C2(C)C.Cc1cc2c(c(C)c1C)-c1ccccc1C2(C)C.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2.Cc1cc2c(c(C)c1C)C(C)(C)c1ccccc1-2.Cc1cc2ccccc2c(C)c1C.Cc1cc2ccccc2c(C)c1C.Cc1cccc(C)c1C.
What is the InChIKey of methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)?
The InChIKey is RHLATHPFAASOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H20.2C13H14.C9H12.2CH4/c2*1-11-10-15-14-8-6-7-9-16(14)18(4,5)17(15)13(3)12(11)2;2*1-11-10-16-17(13(3)12(11)2)14-8-6-7-9-15(14)18(16,4)5;2*1-9-8-12-6-4-5-7-13(12)11(3)10(9)2;1-7-5-4-6-8(2)9(7)3;;/h4*6-10H,1-5H3;2*4-8H,1-3H3;4-6H,1-3H3;2*1H4.
What are the key properties of methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene)?
methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene) has a molecular weight of 1438.22 g/mol, XLogP of 31.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1,2,3,9,9-pentamethylfluorene);bis(2,3,4,9,9-pentamethylfluorene);1,2,3-trimethylbenzene;bis(1,2,3-trimethylnaphthalene) is sourced from PubChem (CID 160627023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).