3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene

C149H174 — CID 59245629

IUPAC3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(CCC(C)C)(CCC(C)C)c3cc(-c6ccc7c(c6)C(CCC(C)C)(CCC(C)C)c6ccccc6-7)ccc3-5)C(C)(C)c3cc(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5cc(-c7ccc8c(c7)C(CCC(C)C)(CCC(C)C)c7ccccc7-8)ccc5-6)c(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5ccccc5-6)cc3-4)cc21
InChIInChI=1S/C149H174/c1-25-69-144(70-26-2)129-39-31-27-35-111(129)117-55-47-107(85-139(117)144)123-89-127-128-90-124(108-48-56-118-114-38-30-34-42-132(114)147(140(118)86-108,75-63-97(11)12)76-64-98(13)14)126(110-50-58-122-120-54-46-106(84-138(120)149(142(122)88-110,79-67-101(19)20)80-68-102(21)22)104-44-52-116-113-37-29-33-41-131(113)146(136(116)82-104,73-61-95(7)8)74-62-96(9)10)92-134(128)143(23,24)133(127)91-125(123)109-49-57-121-119-53-45-105(83-137(119)148(141(121)87-109,77-65-99(15)16)78-66-100(17)18)103-43-51-115-112-36-28-32-40-130(112)145(135(115)81-103,71-59-93(3)4)72-60-94(5)6/h27-58,81-102H,25-26,59-80H2,1-24H3
InChIKeyRVYLPZAAGROPRI-UHFFFAOYSA-N
MW1965.03 g/mol
LogP43.56
Rot. Bonds40

About 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene

3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene (PubChem CID 59245629) has the molecular formula C149H174 and a molecular weight of 1965.03 g/mol. Its IUPAC name is 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene
PubChem CID59245629
Molecular FormulaC149H174
Molecular Weight1965.03 g/mol
Exact Mass1963.36
IUPAC Name3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(CCC(C)C)(CCC(C)C)c3cc(-c6ccc7c(c6)C(CCC(C)C)(CCC(C)C)c6ccccc6-7)ccc3-5)C(C)(C)c3cc(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5cc(-c7ccc8c(c7)C(CCC(C)C)(CCC(C)C)c7ccccc7-8)ccc5-6)c(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5ccccc5-6)cc3-4)cc21
InChIInChI=1S/C149H174/c1-25-69-144(70-26-2)129-39-31-27-35-111(129)117-55-47-107(85-139(117)144)123-89-127-128-90-124(108-48-56-118-114-38-30-34-42-132(114)147(140(118)86-108,75-63-97(11)12)76-64-98(13)14)126(110-50-58-122-120-54-46-106(84-138(120)149(142(122)88-110,79-67-101(19)20)80-68-102(21)22)104-44-52-116-113-37-29-33-41-131(113)146(136(116)82-104,73-61-95(7)8)74-62-96(9)10)92-134(128)143(23,24)133(127)91-125(123)109-49-57-121-119-53-45-105(83-137(119)148(141(121)87-109,77-65-99(15)16)78-66-100(17)18)103-43-51-115-112-36-28-32-40-130(112)145(135(115)81-103,71-59-93(3)4)72-60-94(5)6/h27-58,81-102H,25-26,59-80H2,1-24H3
InChIKeyRVYLPZAAGROPRI-UHFFFAOYSA-N
XLogP43.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds40
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001965.03
LogP ≤ 543.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene with MolForge

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Related Compounds

2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
CID 59245631
9,9-dimethyl-N,N-diphenyl-7-[3,6,7-tris(9,9-dimethylfluoren-2-yl)-9,9-bis(3-methylbutyl)fluoren-2-yl]fluoren-2-amine
CID 89223325
7-[7-[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)-N,N-diphenylfluoren-2-amine
CID 59348481
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-phenyl-9,9-dipropylfluorene
CID 154114384
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
CID 89223321
CID 89223321
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
7-[7-[7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)-N,N-diphenylfluoren-2-amine
CID 59348451
2,3-bis[7-[7-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;20-[7-[2-[7-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-9,9-dimethylfluoren-2-yl]-6,7-dimethyl-9,9-bis(3-methylbutyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;bis(23,23-dimethyl-20-(7,9,9-trimethylfluoren-2-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene);2,3,6,7-tetrakis[7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluorene
CID 162186424
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene?
The IUPAC name of 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene (CID 59245629) is 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene?
The canonical SMILES for 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene is CCCC1(CCC)c2ccccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(CCC(C)C)(CCC(C)C)c3cc(-c6ccc7c(c6)C(CCC(C)C)(CCC(C)C)c6ccccc6-7)ccc3-5)C(C)(C)c3cc(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5cc(-c7ccc8c(c7)C(CCC(C)C)(CCC(C)C)c7ccccc7-8)ccc5-6)c(-c5ccc6c(c5)C(CCC(C)C)(CCC(C)C)c5ccccc5-6)cc3-4)cc21.
What is the InChIKey of 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene?
The InChIKey is RVYLPZAAGROPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H174/c1-25-69-144(70-26-2)129-39-31-27-35-111(129)117-55-47-107(85-139(117)144)123-89-127-128-90-124(108-48-56-118-114-38-30-34-42-132(114)147(140(118)86-108,75-63-97(11)12)76-64-98(13)14)126(110-50-58-122-120-54-46-106(84-138(120)149(142(122)88-110,79-67-101(19)20)80-68-102(21)22)104-44-52-116-113-37-29-33-41-131(113)146(136(116)82-104,73-61-95(7)8)74-62-96(9)10)92-134(128)143(23,24)133(127)91-125(123)109-49-57-121-119-53-45-105(83-137(119)148(141(121)87-109,77-65-99(15)16)78-66-100(17)18)103-43-51-115-112-36-28-32-40-130(112)145(135(115)81-103,71-59-93(3)4)72-60-94(5)6/h27-58,81-102H,25-26,59-80H2,1-24H3.
What are the key properties of 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene?
3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene has a molecular weight of 1965.03 g/mol, XLogP of 43.56, 40 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 59245629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).