9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene

C56H40 — CID 58894820

IUPAC9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
SMILESCc1ccc(-c2ccc(C3(c4ccccc4)c4cc(-c5ccc(-c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C56H40/c1-39-17-19-42(20-18-39)45-29-33-51(34-30-45)56(50-15-9-4-10-16-50)54-37-48(46-25-21-43(22-26-46)40-11-5-2-6-12-40)31-35-52(54)53-36-32-49(38-55(53)56)47-27-23-44(24-28-47)41-13-7-3-8-14-41/h2-38H,1H3
InChIKeyIUOSTENRAFKGAO-UHFFFAOYSA-N
MW712.94 g/mol
LogP14.69
Rot. Bonds7

About 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene

9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene (PubChem CID 58894820) has the molecular formula C56H40 and a molecular weight of 712.94 g/mol. Its IUPAC name is 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene.

Molecular Properties

Compound Name9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
PubChem CID58894820
Molecular FormulaC56H40
Molecular Weight712.94 g/mol
Exact Mass712.31
IUPAC Name9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
SMILESCc1ccc(-c2ccc(C3(c4ccccc4)c4cc(-c5ccc(-c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C56H40/c1-39-17-19-42(20-18-39)45-29-33-51(34-30-45)56(50-15-9-4-10-16-50)54-37-48(46-25-21-43(22-26-46)40-11-5-2-6-12-40)31-35-52(54)53-36-32-49(38-55(53)56)47-27-23-44(24-28-47)41-13-7-3-8-14-41/h2-38H,1H3
InChIKeyIUOSTENRAFKGAO-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

2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-iodo-7,9,9-triphenylfluorene
CID 149383994
2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 102599898
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene?
The IUPAC name of 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene (CID 58894820) is 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene.
What is the SMILES notation for 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene?
The canonical SMILES for 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene is Cc1ccc(-c2ccc(C3(c4ccccc4)c4cc(-c5ccc(-c6ccccc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene?
The InChIKey is IUOSTENRAFKGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40/c1-39-17-19-42(20-18-39)45-29-33-51(34-30-45)56(50-15-9-4-10-16-50)54-37-48(46-25-21-43(22-26-46)40-11-5-2-6-12-40)31-35-52(54)53-36-32-49(38-55(53)56)47-27-23-44(24-28-47)41-13-7-3-8-14-41/h2-38H,1H3.
What are the key properties of 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene?
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)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 9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene is sourced from PubChem (CID 58894820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).