3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane

C92H120O4 — CID 59273815

IUPAC3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCOCC3(C)COC3)(CCCCCCOCC3(C)COC3)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C92H120O4/c1-8-12-16-27-49-90(50-28-17-13-9-2)82-57-69(5)37-43-76(82)77-45-39-72(59-84(77)90)73-41-47-80-81-48-42-75(74-40-46-79-78-44-38-71(70-35-25-24-26-36-70)58-83(78)91(85(79)60-74,51-29-18-14-10-3)52-30-19-15-11-4)62-87(81)92(86(80)61-73,53-31-20-22-33-55-93-63-88(6)65-95-66-88)54-32-21-23-34-56-94-64-89(7)67-96-68-89/h24-26,35-48,57-62H,8-23,27-34,49-56,63-68H2,1-7H3
InChIKeyORAGITIHYGYYLS-UHFFFAOYSA-N
MW1289.97 g/mol
LogP25.68
Rot. Bonds41

About 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane

3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane (PubChem CID 59273815) has the molecular formula C92H120O4 and a molecular weight of 1289.97 g/mol. Its IUPAC name is 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane
PubChem CID59273815
Molecular FormulaC92H120O4
Molecular Weight1289.97 g/mol
Exact Mass1288.92
IUPAC Name3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCOCC3(C)COC3)(CCCCCCOCC3(C)COC3)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C92H120O4/c1-8-12-16-27-49-90(50-28-17-13-9-2)82-57-69(5)37-43-76(82)77-45-39-72(59-84(77)90)73-41-47-80-81-48-42-75(74-40-46-79-78-44-38-71(70-35-25-24-26-36-70)58-83(78)91(85(79)60-74,51-29-18-14-10-3)52-30-19-15-11-4)62-87(81)92(86(80)61-73,53-31-20-22-33-55-93-63-88(6)65-95-66-88)54-32-21-23-34-56-94-64-89(7)67-96-68-89/h24-26,35-48,57-62H,8-23,27-34,49-56,63-68H2,1-7H3
InChIKeyORAGITIHYGYYLS-UHFFFAOYSA-N
XLogP25.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds41
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.97
LogP ≤ 525.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane with MolForge

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Related Compounds

N-(4-butan-2-ylphenyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-4-methylaniline;1-(9,9-dihexyl-7-methylfluoren-2-yl)-8-[9,9-dihexyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]pyrene;N-[4-(9,9-dihexyl-7-phenylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]aniline;molecular hydrogen
CID 160632352
N-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]aniline
CID 58251094
2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
CID 157109512
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]pyrimidine
CID 118345693
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-[9,9-dihexyl-7-[5-(4-methylphenyl)thiophen-2-yl]fluoren-2-yl]-5-phenylthiophene
CID 132550965
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2,7-bis(4-methylphenyl)-9,9-dioctylfluorene;1,4-dimethyl-2,5-dioctoxybenzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 158441043

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane?
The IUPAC name of 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane (CID 59273815) is 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane.
What is the SMILES notation for 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane?
The canonical SMILES for 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane is CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCOCC3(C)COC3)(CCCCCCOCC3(C)COC3)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5cc(-c7ccccc7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane?
The InChIKey is ORAGITIHYGYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H120O4/c1-8-12-16-27-49-90(50-28-17-13-9-2)82-57-69(5)37-43-76(82)77-45-39-72(59-84(77)90)73-41-47-80-81-48-42-75(74-40-46-79-78-44-38-71(70-35-25-24-26-36-70)58-83(78)91(85(79)60-74,51-29-18-14-10-3)52-30-19-15-11-4)62-87(81)92(86(80)61-73,53-31-20-22-33-55-93-63-88(6)65-95-66-88)54-32-21-23-34-56-94-64-89(7)67-96-68-89/h24-26,35-48,57-62H,8-23,27-34,49-56,63-68H2,1-7H3.
What are the key properties of 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane?
3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane has a molecular weight of 1289.97 g/mol, XLogP of 25.68, 41 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(9,9-dihexyl-7-methylfluoren-2-yl)-7-(9,9-dihexyl-7-phenylfluoren-2-yl)-9-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]fluoren-9-yl]hexoxymethyl]-3-methyloxetane is sourced from PubChem (CID 59273815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).