9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

C59H46O2 — CID 20822178

IUPAC9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCCOc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(OCC)cc6)c6ccccc56)ccc3-4)c3ccccc23)cc1
InChIInChI=1S/C59H46O2/c1-5-60-41-29-23-37(24-30-41)55-45-15-7-11-19-49(45)57(50-20-12-8-16-46(50)55)39-27-33-43-44-34-28-40(36-54(44)59(3,4)53(43)35-39)58-51-21-13-9-17-47(51)56(48-18-10-14-22-52(48)58)38-25-31-42(32-26-38)61-6-2/h7-36H,5-6H2,1-4H3
InChIKeyCEAIGESTOYXWFR-UHFFFAOYSA-N
MW787.02 g/mol
LogP16.07
Rot. Bonds8

About 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (PubChem CID 20822178) has the molecular formula C59H46O2 and a molecular weight of 787.02 g/mol. Its IUPAC name is 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
PubChem CID20822178
Molecular FormulaC59H46O2
Molecular Weight787.02 g/mol
Exact Mass786.35
IUPAC Name9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCCOc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(OCC)cc6)c6ccccc56)ccc3-4)c3ccccc23)cc1
InChIInChI=1S/C59H46O2/c1-5-60-41-29-23-37(24-30-41)55-45-15-7-11-19-49(45)57(50-20-12-8-16-46(50)55)39-27-33-43-44-34-28-40(36-54(44)59(3,4)53(43)35-39)58-51-21-13-9-17-47(51)56(48-18-10-14-22-52(48)58)38-25-31-42(32-26-38)61-6-2/h7-36H,5-6H2,1-4H3
InChIKeyCEAIGESTOYXWFR-UHFFFAOYSA-N
XLogP16.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]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-[4-(4-butoxyphenyl)phenyl]-10-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782754
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[7-[9,9-dimethyl-7-[10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-(4-propan-2-yloxyphenyl)anthracene
CID 20822185
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
CID 20821930
2-(6-ethoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 134294373
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-propan-2-yloxyphenyl)anthracen-9-yl]anthracene
CID 20821931
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The IUPAC name of 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (CID 20822178) is 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.
What is the SMILES notation for 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The canonical SMILES for 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is CCOc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(OCC)cc6)c6ccccc56)ccc3-4)c3ccccc23)cc1.
What is the InChIKey of 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The InChIKey is CEAIGESTOYXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46O2/c1-5-60-41-29-23-37(24-30-41)55-45-15-7-11-19-49(45)57(50-20-12-8-16-46(50)55)39-27-33-43-44-34-28-40(36-54(44)59(3,4)53(43)35-39)58-51-21-13-9-17-47(51)56(48-18-10-14-22-52(48)58)38-25-31-42(32-26-38)61-6-2/h7-36H,5-6H2,1-4H3.
What are the key properties of 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene has a molecular weight of 787.02 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is sourced from PubChem (CID 20822178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).