9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene

C69H56O — CID 20822214

IUPAC9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc(OC)cc7)c7ccccc67)c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C69H56O/c1-6-68(7-2)60-29-19-18-20-48(60)49-37-32-44(40-61(49)68)45-33-38-50-51-39-34-46(42-63(51)69(8-3,9-4)62(50)41-45)65-54-23-12-16-27-58(54)67(59-28-17-13-24-55(59)65)66-56-25-14-10-21-52(56)64(53-22-11-15-26-57(53)66)43-30-35-47(70-5)36-31-43/h10-42H,6-9H2,1-5H3
InChIKeyAMUIEULOJRSNST-UHFFFAOYSA-N
MW901.21 g/mol
LogP19.15
Rot. Bonds9

About 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene

9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene (PubChem CID 20822214) has the molecular formula C69H56O and a molecular weight of 901.21 g/mol. Its IUPAC name is 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
PubChem CID20822214
Molecular FormulaC69H56O
Molecular Weight901.21 g/mol
Exact Mass900.43
IUPAC Name9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc(OC)cc7)c7ccccc67)c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C69H56O/c1-6-68(7-2)60-29-19-18-20-48(60)49-37-32-44(40-61(49)68)45-33-38-50-51-39-34-46(42-63(51)69(8-3,9-4)62(50)41-45)65-54-23-12-16-27-58(54)67(59-28-17-13-24-55(59)65)66-56-25-14-10-21-52(56)64(53-22-11-15-26-57(53)66)43-30-35-47(70-5)36-31-43/h10-42H,6-9H2,1-5H3
InChIKeyAMUIEULOJRSNST-UHFFFAOYSA-N
XLogP19.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.21
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-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-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
CID 20822293
9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene
CID 20821974
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
11,11-diethyl-8-methoxybenzo[b]fluorene
CID 59844089
23,23-diethyl-20-(10-phenylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 123175409
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
9-(9,9-dipropylfluoren-2-yl)-10-[10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822005
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
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

Frequently Asked Questions

What is the IUPAC name of 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene?
The IUPAC name of 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene (CID 20822214) is 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene.
What is the SMILES notation for 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene?
The canonical SMILES for 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene is CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc(OC)cc7)c7ccccc67)c6ccccc56)ccc3-4)cc21.
What is the InChIKey of 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene?
The InChIKey is AMUIEULOJRSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56O/c1-6-68(7-2)60-29-19-18-20-48(60)49-37-32-44(40-61(49)68)45-33-38-50-51-39-34-46(42-63(51)69(8-3,9-4)62(50)41-45)65-54-23-12-16-27-58(54)67(59-28-17-13-24-55(59)65)66-56-25-14-10-21-52(56)64(53-22-11-15-26-57(53)66)43-30-35-47(70-5)36-31-43/h10-42H,6-9H2,1-5H3.
What are the key properties of 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene?
9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene has a molecular weight of 901.21 g/mol, XLogP of 19.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 20822214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).