9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene

C62H48 — CID 164755272

IUPAC9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
SMILESCc1cccc2c1-c1c(-c3ccccc3)cccc1C2(c1cccc(-c2cccc3c2-c2ccccc2C3(C)C)c1)c1cccc(-c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C62H48/c1-39-19-13-35-54-56(39)59-45(40-20-7-6-8-21-40)28-18-36-55(59)62(54,43-24-14-22-41(37-43)46-29-16-33-52-57(46)48-26-9-11-31-50(48)60(52,2)3)44-25-15-23-42(38-44)47-30-17-34-53-58(47)49-27-10-12-32-51(49)61(53,4)5/h6-38H,1-5H3
InChIKeyFRAWEPWBQNQYTD-UHFFFAOYSA-N
MW793.07 g/mol
LogP15.97
Rot. Bonds5

About 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene

9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene (PubChem CID 164755272) has the molecular formula C62H48 and a molecular weight of 793.07 g/mol. Its IUPAC name is 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene.

Molecular Properties

Compound Name9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
PubChem CID164755272
Molecular FormulaC62H48
Molecular Weight793.07 g/mol
Exact Mass792.38
IUPAC Name9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
SMILESCc1cccc2c1-c1c(-c3ccccc3)cccc1C2(c1cccc(-c2cccc3c2-c2ccccc2C3(C)C)c1)c1cccc(-c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C62H48/c1-39-19-13-35-54-56(39)59-45(40-20-7-6-8-21-40)28-18-36-55(59)62(54,43-24-14-22-41(37-43)46-29-16-33-52-57(46)48-26-9-11-31-50(48)60(52,2)3)44-25-15-23-42(38-44)47-30-17-34-53-58(47)49-27-10-12-32-51(49)61(53,4)5/h6-38H,1-5H3
InChIKeyFRAWEPWBQNQYTD-UHFFFAOYSA-N
XLogP15.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.07
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
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
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
CID 164755349
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
CID 164755367
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-methyl-9,9-diphenylfluorene
CID 123595050
ethane;4,9,9-trimethylfluorene
CID 123917181
bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
CID 158861729
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene?
The IUPAC name of 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene (CID 164755272) is 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene.
What is the SMILES notation for 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene?
The canonical SMILES for 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene is Cc1cccc2c1-c1c(-c3ccccc3)cccc1C2(c1cccc(-c2cccc3c2-c2ccccc2C3(C)C)c1)c1cccc(-c2cccc3c2-c2ccccc2C3(C)C)c1.
What is the InChIKey of 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene?
The InChIKey is FRAWEPWBQNQYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48/c1-39-19-13-35-54-56(39)59-45(40-20-7-6-8-21-40)28-18-36-55(59)62(54,43-24-14-22-41(37-43)46-29-16-33-52-57(46)48-26-9-11-31-50(48)60(52,2)3)44-25-15-23-42(38-44)47-30-17-34-53-58(47)49-27-10-12-32-51(49)61(53,4)5/h6-38H,1-5H3.
What are the key properties of 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene?
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene has a molecular weight of 793.07 g/mol, XLogP of 15.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene is sourced from PubChem (CID 164755272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).