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

C56H40 — CID 171757298

IUPAC9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
SMILESCc1cc(-c2ccccc2)cc(C2(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C56H40/c1-39-31-47(42-21-9-4-10-22-42)36-50(32-39)56(54-29-13-11-27-52(54)53-28-12-14-30-55(53)56)51-37-48(45-25-15-23-43(33-45)40-17-5-2-6-18-40)35-49(38-51)46-26-16-24-44(34-46)41-19-7-3-8-20-41/h2-38H,1H3
InChIKeyAWOKFEGCBRCXLH-UHFFFAOYSA-N
MW712.94 g/mol
LogP14.69
Rot. Bonds7

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

9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene (PubChem CID 171757298) has the molecular formula C56H40 and a molecular weight of 712.94 g/mol. Its IUPAC name is 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene.

Molecular Properties

Compound Name9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
PubChem CID171757298
Molecular FormulaC56H40
Molecular Weight712.94 g/mol
Exact Mass712.31
IUPAC Name9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
SMILESCc1cc(-c2ccccc2)cc(C2(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C56H40/c1-39-31-47(42-21-9-4-10-22-42)36-50(32-39)56(54-29-13-11-27-52(54)53-28-12-14-30-55(53)56)51-37-48(45-25-15-23-43(33-45)40-17-5-2-6-18-40)35-49(38-51)46-26-16-24-44(34-46)41-19-7-3-8-20-41/h2-38H,1H3
InChIKeyAWOKFEGCBRCXLH-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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Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene?
The IUPAC name of 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene (CID 171757298) is 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene.
What is the SMILES notation for 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene?
The canonical SMILES for 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene is Cc1cc(-c2ccccc2)cc(C2(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene?
The InChIKey is AWOKFEGCBRCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40/c1-39-31-47(42-21-9-4-10-22-42)36-50(32-39)56(54-29-13-11-27-52(54)53-28-12-14-30-55(53)56)51-37-48(45-25-15-23-43(33-45)40-17-5-2-6-18-40)35-49(38-51)46-26-16-24-44(34-46)41-19-7-3-8-20-41/h2-38H,1H3.
What are the key properties of 9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene?
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-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-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene is sourced from PubChem (CID 171757298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).