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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
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-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
3-[3-[9-[3,5-bis(3-cyano-5-methylphenyl)phenyl]fluoren-9-yl]-5-(3-cyano-5-methylphenyl)phenyl]-5-methylbenzonitrile
CID 70792678
9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
CID 58142034
2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886282
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
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-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332

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).