9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene

C53H38 — CID 59194700

IUPAC9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C53H38/c1-53(2)49-23-12-11-20-43(49)44-30-29-42(34-50(44)53)52-46-22-10-9-21-45(46)51(47-31-28-40(33-48(47)52)36-16-7-4-8-17-36)41-19-13-18-39(32-41)38-26-24-37(25-27-38)35-14-5-3-6-15-35/h3-34H,1-2H3
InChIKeyJSULUBPWYFQDDM-UHFFFAOYSA-N
MW674.89 g/mol
LogP14.63
Rot. Bonds5

About 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene

9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene (PubChem CID 59194700) has the molecular formula C53H38 and a molecular weight of 674.89 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
PubChem CID59194700
Molecular FormulaC53H38
Molecular Weight674.89 g/mol
Exact Mass674.30
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C53H38/c1-53(2)49-23-12-11-20-43(49)44-30-29-42(34-50(44)53)52-46-22-10-9-21-45(46)51(47-31-28-40(33-48(47)52)36-16-7-4-8-17-36)41-19-13-18-39(32-41)38-26-24-37(25-27-38)35-14-5-3-6-15-35/h3-34H,1-2H3
InChIKeyJSULUBPWYFQDDM-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene (CID 59194700) is 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4ccc(-c5ccccc5)cc34)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene?
The InChIKey is JSULUBPWYFQDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38/c1-53(2)49-23-12-11-20-43(49)44-30-29-42(34-50(44)53)52-46-22-10-9-21-45(46)51(47-31-28-40(33-48(47)52)36-16-7-4-8-17-36)41-19-13-18-39(32-41)38-26-24-37(25-27-38)35-14-5-3-6-15-35/h3-34H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene?
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene has a molecular weight of 674.89 g/mol, XLogP of 14.63, 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)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 59194700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).