2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene

C103H136 — CID 58648648

IUPAC2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
SMILESCCC(C)CC1(CC(C)CC)c2cc(-c3ccc4c(c3)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c3cc(C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C[C@@H](C)CC)(C[C@@H](C)CC)c3cc(-c5ccc6c(c5)C(C[C@@H](C)CC)(C[C@@H](C)CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C103H136/c1-20-69(11)61-101(62-70(12)21-2)92-35-27-26-34-84(92)86-44-37-79(56-95(86)101)81-40-47-89-91-49-42-83(60-99(91)103(97(89)58-81,65-73(15)24-5)66-74(16)25-6)82-41-48-90-88-46-39-80(57-96(88)102(98(90)59-82,63-71(13)22-3)64-72(14)23-4)78-38-45-87-85-43-36-77(19)54-93(85)100(94(87)55-78,52-50-75(17)32-28-30-67(7)8)53-51-76(18)33-29-31-68(9)10/h26-27,34-49,54-60,67-76H,20-25,28-33,50-53,61-66H2,1-19H3/t69-,70-,71?,72?,73-,74-,75-,76-,102?/m0/s1
InChIKeyYMKNSCICQNGBLL-RWLCXSHESA-N
MW1374.22 g/mol
LogP31.16
Rot. Bonds35

About 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene

2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene (PubChem CID 58648648) has the molecular formula C103H136 and a molecular weight of 1374.22 g/mol. Its IUPAC name is 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene.

Molecular Properties

Compound Name2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
PubChem CID58648648
Molecular FormulaC103H136
Molecular Weight1374.22 g/mol
Exact Mass1373.06
IUPAC Name2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
SMILESCCC(C)CC1(CC(C)CC)c2cc(-c3ccc4c(c3)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c3cc(C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C[C@@H](C)CC)(C[C@@H](C)CC)c3cc(-c5ccc6c(c5)C(C[C@@H](C)CC)(C[C@@H](C)CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C103H136/c1-20-69(11)61-101(62-70(12)21-2)92-35-27-26-34-84(92)86-44-37-79(56-95(86)101)81-40-47-89-91-49-42-83(60-99(91)103(97(89)58-81,65-73(15)24-5)66-74(16)25-6)82-41-48-90-88-46-39-80(57-96(88)102(98(90)59-82,63-71(13)22-3)64-72(14)23-4)78-38-45-87-85-43-36-77(19)54-93(85)100(94(87)55-78,52-50-75(17)32-28-30-67(7)8)53-51-76(18)33-29-31-68(9)10/h26-27,34-49,54-60,67-76H,20-25,28-33,50-53,61-66H2,1-19H3/t69-,70-,71?,72?,73-,74-,75-,76-,102?/m0/s1
InChIKeyYMKNSCICQNGBLL-RWLCXSHESA-N
XLogP31.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001374.22
LogP ≤ 531.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene with MolForge

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Related Compounds

2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
CID 23568230
2-[9,9-bis(2-methylbutyl)-7-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]fluoren-2-yl]-7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028080
9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
CID 59512850
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028071
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59801302
2-tert-butyl-4-methyl-6-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]phenol;carbanide;titanium(3+)
CID 59270151
2-[7-[7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87844763
9,9-bis[(5S)-5-methylheptyl]fluorene
CID 101194552
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244

Frequently Asked Questions

What is the IUPAC name of 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene?
The IUPAC name of 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene (CID 58648648) is 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene.
What is the SMILES notation for 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene?
The canonical SMILES for 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene is CCC(C)CC1(CC(C)CC)c2cc(-c3ccc4c(c3)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c3cc(C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C[C@@H](C)CC)(C[C@@H](C)CC)c3cc(-c5ccc6c(c5)C(C[C@@H](C)CC)(C[C@@H](C)CC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene?
The InChIKey is YMKNSCICQNGBLL-RWLCXSHESA-N. The full InChI is InChI=1S/C103H136/c1-20-69(11)61-101(62-70(12)21-2)92-35-27-26-34-84(92)86-44-37-79(56-95(86)101)81-40-47-89-91-49-42-83(60-99(91)103(97(89)58-81,65-73(15)24-5)66-74(16)25-6)82-41-48-90-88-46-39-80(57-96(88)102(98(90)59-82,63-71(13)22-3)64-72(14)23-4)78-38-45-87-85-43-36-77(19)54-93(85)100(94(87)55-78,52-50-75(17)32-28-30-67(7)8)53-51-76(18)33-29-31-68(9)10/h26-27,34-49,54-60,67-76H,20-25,28-33,50-53,61-66H2,1-19H3/t69-,70-,71?,72?,73-,74-,75-,76-,102?/m0/s1.
What are the key properties of 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene?
2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene has a molecular weight of 1374.22 g/mol, XLogP of 31.16, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene is sourced from PubChem (CID 58648648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).