9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene

C38H32O — CID 20822293

IUPAC9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(OC)cc4)c4ccccc34)cc21
InChIInChI=1S/C38H32O/c1-4-38(5-2)34-17-11-10-12-28(34)29-23-20-26(24-35(29)38)37-32-15-8-6-13-30(32)36(31-14-7-9-16-33(31)37)25-18-21-27(39-3)22-19-25/h6-24H,4-5H2,1-3H3
InChIKeySQHYLSRHGVGDSV-UHFFFAOYSA-N
MW504.67 g/mol
LogP10.42
Rot. Bonds5

About 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene

9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene (PubChem CID 20822293) has the molecular formula C38H32O and a molecular weight of 504.67 g/mol. Its IUPAC name is 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
PubChem CID20822293
Molecular FormulaC38H32O
Molecular Weight504.67 g/mol
Exact Mass504.25
IUPAC Name9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(OC)cc4)c4ccccc34)cc21
InChIInChI=1S/C38H32O/c1-4-38(5-2)34-17-11-10-12-28(34)29-23-20-26(24-35(29)38)37-32-15-8-6-13-30(32)36(31-14-7-9-16-33(31)37)25-18-21-27(39-3)22-19-25/h6-24H,4-5H2,1-3H3
InChIKeySQHYLSRHGVGDSV-UHFFFAOYSA-N
XLogP10.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
CID 20822214
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
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
11,11-diethyl-8-methoxybenzo[b]fluorene
CID 59844089
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
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-(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-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
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

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene?
The IUPAC name of 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene (CID 20822293) is 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene.
What is the SMILES notation for 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene?
The canonical SMILES for 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene is CCC1(CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(OC)cc4)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene?
The InChIKey is SQHYLSRHGVGDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O/c1-4-38(5-2)34-17-11-10-12-28(34)29-23-20-26(24-35(29)38)37-32-15-8-6-13-30(32)36(31-14-7-9-16-33(31)37)25-18-21-27(39-3)22-19-25/h6-24H,4-5H2,1-3H3.
What are the key properties of 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene?
9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene has a molecular weight of 504.67 g/mol, XLogP of 10.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene is sourced from PubChem (CID 20822293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).