hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene

C297H342O24 — CID 162050145

IUPAChexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene
SMILESCC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CCc1ccc2ccccc2c1.CCc1cccc2ccccc12.CCc1cccc2ccccc12.CCc1ccccc1.CCc1ccccc1.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.Cc1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/6C15H14.3C12H12.C11H10.12C10H8.2C8H10.24CH4O/c6*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-9-6-7-10-4-2-3-5-11(10)8-9;12*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-8-6-4-3-5-7-8;24*1-2/h6*3-10H,1-2H3;3*3-9H,2H2,1H3;2-8H,1H3;12*1-8H;2*3-7H,2H2,1H3;24*2H,1H3
InChIKeyYYLAYLYSUGIABT-UHFFFAOYSA-N
MW4295.98 g/mol
LogP66.49
Rot. Bonds5

About hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene

hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene (PubChem CID 162050145) has the molecular formula C297H342O24 and a molecular weight of 4295.98 g/mol. Its IUPAC name is hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene.

Molecular Properties

Compound Namehexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene
PubChem CID162050145
Molecular FormulaC297H342O24
Molecular Weight4295.98 g/mol
Exact Mass4292.55
IUPAC Namehexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene
SMILESCC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CCc1ccc2ccccc2c1.CCc1cccc2ccccc12.CCc1cccc2ccccc12.CCc1ccccc1.CCc1ccccc1.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.Cc1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/6C15H14.3C12H12.C11H10.12C10H8.2C8H10.24CH4O/c6*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-9-6-7-10-4-2-3-5-11(10)8-9;12*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-8-6-4-3-5-7-8;24*1-2/h6*3-10H,1-2H3;3*3-9H,2H2,1H3;2-8H,1H3;12*1-8H;2*3-7H,2H2,1H3;24*2H,1H3
InChIKeyYYLAYLYSUGIABT-UHFFFAOYSA-N
XLogP66.49
TPSA485.52 Ų
H-Bond Donors24
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004295.98
LogP ≤ 566.49
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1024

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Related Compounds

carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)
CID 159888057
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
CID 143631161
ethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 143843948
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-[4-(4-ethylphenyl)phenyl]anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159631829
9,9-dimethylfluorene;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];toluene
CID 161053096
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
1-ethyl-7-methylnaphthalene
CID 12778771
2-methyl-9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];2,9,9-trimethylfluorene
CID 158540560
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212

Frequently Asked Questions

What is the IUPAC name of hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene?
The IUPAC name of hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene (CID 162050145) is hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene.
What is the SMILES notation for hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene?
The canonical SMILES for hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene is CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CCc1ccc2ccccc2c1.CCc1cccc2ccccc12.CCc1cccc2ccccc12.CCc1ccccc1.CCc1ccccc1.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.Cc1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene?
The InChIKey is YYLAYLYSUGIABT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H14.3C12H12.C11H10.12C10H8.2C8H10.24CH4O/c6*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-9-6-7-10-4-2-3-5-11(10)8-9;12*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-8-6-4-3-5-7-8;24*1-2/h6*3-10H,1-2H3;3*3-9H,2H2,1H3;2-8H,1H3;12*1-8H;2*3-7H,2H2,1H3;24*2H,1H3.
What are the key properties of hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene?
hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene has a molecular weight of 4295.98 g/mol, XLogP of 66.49, 5 rotatable bonds, 24 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene is sourced from PubChem (CID 162050145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).