3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene

C56H40 — CID 164755332

IUPAC3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C2(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C56H40/c1-39-32-33-53-52(34-39)55-51(42-20-9-4-10-21-42)30-15-31-54(55)56(53,49-28-13-26-47(37-49)45-24-11-22-43(35-45)40-16-5-2-6-17-40)50-29-14-27-48(38-50)46-25-12-23-44(36-46)41-18-7-3-8-19-41/h2-38H,1H3
InChIKeySSWPWUXAGQLCGG-UHFFFAOYSA-N
MW712.94 g/mol
LogP14.69
Rot. Bonds7

About 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene

3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene (PubChem CID 164755332) has the molecular formula C56H40 and a molecular weight of 712.94 g/mol. Its IUPAC name is 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
PubChem CID164755332
Molecular FormulaC56H40
Molecular Weight712.94 g/mol
Exact Mass712.31
IUPAC Name3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C2(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C56H40/c1-39-32-33-53-52(34-39)55-51(42-20-9-4-10-21-42)30-15-31-54(55)56(53,49-28-13-26-47(37-49)45-24-11-22-43(35-45)40-16-5-2-6-17-40)50-29-14-27-48(38-50)46-25-12-23-44(36-46)41-18-7-3-8-19-41/h2-38H,1H3
InChIKeySSWPWUXAGQLCGG-UHFFFAOYSA-N
XLogP14.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
CID 164755546
9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
CID 164755474
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-(3-phenylphenyl)phenyl]fluorene
CID 140873482
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938622
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The IUPAC name of 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene (CID 164755332) is 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene.
What is the SMILES notation for 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The canonical SMILES for 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene is Cc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C2(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1cccc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The InChIKey is SSWPWUXAGQLCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40/c1-39-32-33-53-52(34-39)55-51(42-20-9-4-10-21-42)30-15-31-54(55)56(53,49-28-13-26-47(37-49)45-24-11-22-43(35-45)40-16-5-2-6-17-40)50-29-14-27-48(38-50)46-25-12-23-44(36-46)41-18-7-3-8-19-41/h2-38H,1H3.
What are the key properties of 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene has a molecular weight of 712.94 g/mol, XLogP of 14.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene is sourced from PubChem (CID 164755332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).