9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene

C49H36 — CID 123439671

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(-c6ccccc6)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C49H36/c1-49(2)45-19-11-10-14-39(45)40-31-30-38(32-46(40)49)48-43-17-8-6-15-41(43)47(42-16-7-9-18-44(42)48)37-28-24-34(25-29-37)21-20-33-22-26-36(27-23-33)35-12-4-3-5-13-35/h3-32H,1-2H3
InChIKeyJQXZJMIXWHBIRR-UHFFFAOYSA-N
MW624.83 g/mol
LogP13.47
Rot. Bonds5

About 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene

9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene (PubChem CID 123439671) has the molecular formula C49H36 and a molecular weight of 624.83 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
PubChem CID123439671
Molecular FormulaC49H36
Molecular Weight624.83 g/mol
Exact Mass624.28
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(-c6ccccc6)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C49H36/c1-49(2)45-19-11-10-14-39(45)40-31-30-38(32-46(40)49)48-43-17-8-6-15-41(43)47(42-16-7-9-18-44(42)48)37-28-24-34(25-29-37)21-20-33-22-26-36(27-23-33)35-12-4-3-5-13-35/h3-32H,1-2H3
InChIKeyJQXZJMIXWHBIRR-UHFFFAOYSA-N
XLogP13.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene (CID 123439671) is 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(-c6ccccc6)cc5)cc4)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene?
The InChIKey is JQXZJMIXWHBIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36/c1-49(2)45-19-11-10-14-39(45)40-31-30-38(32-46(40)49)48-43-17-8-6-15-41(43)47(42-16-7-9-18-44(42)48)37-28-24-34(25-29-37)21-20-33-22-26-36(27-23-33)35-12-4-3-5-13-35/h3-32H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene?
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene has a molecular weight of 624.83 g/mol, XLogP of 13.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 123439671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).