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

C92H114 — CID 21028080

IUPAC2-[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
SMILESCCC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(-c7ccc8c(c7)C(CC(C)CC)(CC(C)CC)c7cc(C)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C92H114/c1-18-59(10)51-89(50-58(8)9)81-28-26-25-27-73(81)75-37-30-67(44-83(75)89)69-32-39-77-79-41-34-71(48-87(79)91(85(77)46-69,54-62(13)21-4)55-63(14)22-5)72-35-42-80-78-40-33-70(47-86(78)92(88(80)49-72,56-64(15)23-6)57-65(16)24-7)68-31-38-76-74-36-29-66(17)43-82(74)90(84(76)45-68,52-60(11)19-2)53-61(12)20-3/h25-49,58-65H,18-24,50-57H2,1-17H3
InChIKeyCCEWJCSFZMJWDQ-UHFFFAOYSA-N
MW1219.92 g/mol
LogP27.16
Rot. Bonds26

About 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

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 (PubChem CID 21028080) has the molecular formula C92H114 and a molecular weight of 1219.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID21028080
Molecular FormulaC92H114
Molecular Weight1219.92 g/mol
Exact Mass1218.89
IUPAC Name2-[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
SMILESCCC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(-c7ccc8c(c7)C(CC(C)CC)(CC(C)CC)c7cc(C)ccc7-8)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C92H114/c1-18-59(10)51-89(50-58(8)9)81-28-26-25-27-73(81)75-37-30-67(44-83(75)89)69-32-39-77-79-41-34-71(48-87(79)91(85(77)46-69,54-62(13)21-4)55-63(14)22-5)72-35-42-80-78-40-33-70(47-86(78)92(88(80)49-72,56-64(15)23-6)57-65(16)24-7)68-31-38-76-74-36-29-66(17)43-82(74)90(84(76)45-68,52-60(11)19-2)53-61(12)20-3/h25-49,58-65H,18-24,50-57H2,1-17H3
InChIKeyCCEWJCSFZMJWDQ-UHFFFAOYSA-N
XLogP27.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.92
LogP ≤ 527.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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)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-[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
9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
CID 59512850
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
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
butane;2-tert-butyl-7-methyl-9,9-bis(2-methylbutyl)fluorene
CID 143365607
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-10-[7-[7-[9,9-bis(2-methylbutyl)-7-[3-(3-methylphenyl)propyl]fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]perylene
CID 58876415

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)CC1(CC(C)C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(-c7ccc8c(c7)C(CC(C)CC)(CC(C)CC)c7cc(C)ccc7-8)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is CCEWJCSFZMJWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H114/c1-18-59(10)51-89(50-58(8)9)81-28-26-25-27-73(81)75-37-30-67(44-83(75)89)69-32-39-77-79-41-34-71(48-87(79)91(85(77)46-69,54-62(13)21-4)55-63(14)22-5)72-35-42-80-78-40-33-70(47-86(78)92(88(80)49-72,56-64(15)23-6)57-65(16)24-7)68-31-38-76-74-36-29-66(17)43-82(74)90(84(76)45-68,52-60(11)19-2)53-61(12)20-3/h25-49,58-65H,18-24,50-57H2,1-17H3.
What are the key properties of 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?
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 has a molecular weight of 1219.92 g/mol, XLogP of 27.16, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21028080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).