9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene

C55H38 — CID 59196085

IUPAC9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)ccc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
InChIInChI=1S/C55H38/c1-55(2)50-23-13-12-20-44(50)45-30-28-41(34-51(45)55)52-46-21-10-11-22-47(46)54(53-42-19-9-8-17-37(42)26-29-43(53)36-15-4-3-5-16-36)48-31-27-40(33-49(48)52)39-25-24-35-14-6-7-18-38(35)32-39/h3-34H,1-2H3
InChIKeyHJWGGSRFZNSCPO-UHFFFAOYSA-N
MW698.91 g/mol
LogP15.27
Rot. Bonds4

About 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene (PubChem CID 59196085) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene
PubChem CID59196085
Molecular FormulaC55H38
Molecular Weight698.91 g/mol
Exact Mass698.30
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)ccc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21
InChIInChI=1S/C55H38/c1-55(2)50-23-13-12-20-44(50)45-30-28-41(34-51(45)55)52-46-21-10-11-22-47(46)54(53-42-19-9-8-17-37(42)26-29-43(53)36-15-4-3-5-16-36)48-31-27-40(33-49(48)52)39-25-24-35-14-6-7-18-38(35)32-39/h3-34H,1-2H3
InChIKeyHJWGGSRFZNSCPO-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 515.27
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-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
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-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195223
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
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
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
CID 161463113
2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-diphenylanthracene
CID 159374462
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]acridine
CID 59195530

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene (CID 59196085) is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c(-c5ccccc5)ccc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene?
The InChIKey is HJWGGSRFZNSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)50-23-13-12-20-44(50)45-30-28-41(34-51(45)55)52-46-21-10-11-22-47(46)54(53-42-19-9-8-17-37(42)26-29-43(53)36-15-4-3-5-16-36)48-31-27-40(33-49(48)52)39-25-24-35-14-6-7-18-38(35)32-39/h3-34H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene?
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 4 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-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 59196085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).