9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene

C58H48 — CID 140843453

IUPAC9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
SMILESCCCC1(C(C)(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21
InChIInChI=1S/C58H48/c1-5-34-58(57(2,3)4)53-27-17-16-22-47(53)48-33-32-43(38-54(48)58)56-51-25-14-12-23-49(51)55(50-24-13-15-26-52(50)56)42-30-28-41(29-31-42)46-36-44(39-18-8-6-9-19-39)35-45(37-46)40-20-10-7-11-21-40/h6-33,35-38H,5,34H2,1-4H3
InChIKeyKMRNLGOWCAUQJP-UHFFFAOYSA-N
MW745.02 g/mol
LogP16.44
Rot. Bonds7

About 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene

9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene (PubChem CID 140843453) has the molecular formula C58H48 and a molecular weight of 745.02 g/mol. Its IUPAC name is 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
PubChem CID140843453
Molecular FormulaC58H48
Molecular Weight745.02 g/mol
Exact Mass744.38
IUPAC Name9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
SMILESCCCC1(C(C)(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21
InChIInChI=1S/C58H48/c1-5-34-58(57(2,3)4)53-27-17-16-22-47(53)48-33-32-43(38-54(48)58)56-51-25-14-12-23-49(51)55(50-24-13-15-26-52(50)56)42-30-28-41(29-31-42)46-36-44(39-18-8-6-9-19-39)35-45(37-46)40-20-10-7-11-21-40/h6-33,35-38H,5,34H2,1-4H3
InChIKeyKMRNLGOWCAUQJP-UHFFFAOYSA-N
XLogP16.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.02
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene 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-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
CID 140843433
9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene
CID 140843551
9-[9,9-bis(2-methylpropyl)fluoren-2-yl]-10-[4-(3,5-diphenylphenyl)naphthalen-1-yl]anthracene;9-(9-butyl-9-tert-butylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)naphthalen-1-yl]anthracene;9-(9-tert-butyl-9-propan-2-ylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)naphthalen-1-yl]anthracene;9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)naphthalen-1-yl]anthracene;9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-(9-phenyl-9H-fluoren-2-yl)anthracene
CID 160983481
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-ethyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-methyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9H-fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9-propylfluoren-2-yl]anthracene
CID 161492939
9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
CID 20822027

Frequently Asked Questions

What is the IUPAC name of 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
The IUPAC name of 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene (CID 140843453) is 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene is CCCC1(C(C)(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.
What is the InChIKey of 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
The InChIKey is KMRNLGOWCAUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48/c1-5-34-58(57(2,3)4)53-27-17-16-22-47(53)48-33-32-43(38-54(48)58)56-51-25-14-12-23-49(51)55(50-24-13-15-26-52(50)56)42-30-28-41(29-31-42)46-36-44(39-18-8-6-9-19-39)35-45(37-46)40-20-10-7-11-21-40/h6-33,35-38H,5,34H2,1-4H3.
What are the key properties of 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene has a molecular weight of 745.02 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene is sourced from PubChem (CID 140843453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).