9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene

C94H76 — CID 164755349

IUPAC9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
SMILESCc1cc(C)c(-c2cccc3c2-c2ccccc2C3(c2cc(-c3cccc4c3-c3ccccc3C4(C)C)cc(-c3cccc4c3-c3ccccc3C4(C)C)c2)c2cc(-c3cccc4c3-c3ccccc3C4(C)C)cc(-c3cccc4c3-c3ccccc3C4(C)C)c2)c(C)c1
InChIInChI=1S/C94H76/c1-55-47-56(2)84(57(3)48-55)73-36-26-46-83-89(73)72-31-16-21-41-78(72)94(83,62-51-58(64-32-22-42-79-85(64)68-27-12-17-37-74(68)90(79,4)5)49-59(52-62)65-33-23-43-80-86(65)69-28-13-18-38-75(69)91(80,6)7)63-53-60(66-34-24-44-81-87(66)70-29-14-19-39-76(70)92(81,8)9)50-61(54-63)67-35-25-45-82-88(67)71-30-15-20-40-77(71)93(82,10)11/h12-54H,1-11H3
InChIKeyZWYRDEHLNFILFB-UHFFFAOYSA-N
MW1205.64 g/mol
LogP24.54
Rot. Bonds7

About 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene

9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene (PubChem CID 164755349) has the molecular formula C94H76 and a molecular weight of 1205.64 g/mol. Its IUPAC name is 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
PubChem CID164755349
Molecular FormulaC94H76
Molecular Weight1205.64 g/mol
Exact Mass1204.59
IUPAC Name9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
SMILESCc1cc(C)c(-c2cccc3c2-c2ccccc2C3(c2cc(-c3cccc4c3-c3ccccc3C4(C)C)cc(-c3cccc4c3-c3ccccc3C4(C)C)c2)c2cc(-c3cccc4c3-c3ccccc3C4(C)C)cc(-c3cccc4c3-c3ccccc3C4(C)C)c2)c(C)c1
InChIInChI=1S/C94H76/c1-55-47-56(2)84(57(3)48-55)73-36-26-46-83-89(73)72-31-16-21-41-78(72)94(83,62-51-58(64-32-22-42-79-85(64)68-27-12-17-37-74(68)90(79,4)5)49-59(52-62)65-33-23-43-80-86(65)69-28-13-18-38-75(69)91(80,6)7)63-53-60(66-34-24-44-81-87(66)70-29-14-19-39-76(70)92(81,8)9)50-61(54-63)67-35-25-45-82-88(67)71-30-15-20-40-77(71)93(82,10)11/h12-54H,1-11H3
InChIKeyZWYRDEHLNFILFB-UHFFFAOYSA-N
XLogP24.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.64
LogP ≤ 524.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene
CID 164755578
9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 164755351
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266614
14,14-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-19-methyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164755613
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755577
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
2,4-dimethyl-9,9-diphenylfluorene
CID 144876512

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene?
The IUPAC name of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene (CID 164755349) is 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene.
What is the SMILES notation for 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene?
The canonical SMILES for 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene is Cc1cc(C)c(-c2cccc3c2-c2ccccc2C3(c2cc(-c3cccc4c3-c3ccccc3C4(C)C)cc(-c3cccc4c3-c3ccccc3C4(C)C)c2)c2cc(-c3cccc4c3-c3ccccc3C4(C)C)cc(-c3cccc4c3-c3ccccc3C4(C)C)c2)c(C)c1.
What is the InChIKey of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene?
The InChIKey is ZWYRDEHLNFILFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H76/c1-55-47-56(2)84(57(3)48-55)73-36-26-46-83-89(73)72-31-16-21-41-78(72)94(83,62-51-58(64-32-22-42-79-85(64)68-27-12-17-37-74(68)90(79,4)5)49-59(52-62)65-33-23-43-80-86(65)69-28-13-18-38-75(69)91(80,6)7)63-53-60(66-34-24-44-81-87(66)70-29-14-19-39-76(70)92(81,8)9)50-61(54-63)67-35-25-45-82-88(67)71-30-15-20-40-77(71)93(82,10)11/h12-54H,1-11H3.
What are the key properties of 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene?
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene has a molecular weight of 1205.64 g/mol, XLogP of 24.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene is sourced from PubChem (CID 164755349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).