9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene

C65H44 — CID 59196441

IUPAC9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C65H44/c1-65(2)58-29-15-14-27-55(58)64-56(28-16-30-59(64)65)63-53-26-13-12-25-52(53)62(54-38-37-47(40-57(54)63)46-36-31-41-17-6-7-20-45(41)39-46)44-34-32-43(33-35-44)61-50-23-10-8-21-48(50)60(42-18-4-3-5-19-42)49-22-9-11-24-51(49)61/h3-40H,1-2H3
InChIKeyAAIORXOBAHHKKB-UHFFFAOYSA-N
MW825.07 g/mol
LogP18.09
Rot. Bonds5

About 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene

9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene (PubChem CID 59196441) has the molecular formula C65H44 and a molecular weight of 825.07 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
PubChem CID59196441
Molecular FormulaC65H44
Molecular Weight825.07 g/mol
Exact Mass824.34
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C65H44/c1-65(2)58-29-15-14-27-55(58)64-56(28-16-30-59(64)65)63-53-26-13-12-25-52(53)62(54-38-37-47(40-57(54)63)46-36-31-41-17-6-7-20-45(41)39-46)44-34-32-43(33-35-44)61-50-23-10-8-21-48(50)60(42-18-4-3-5-19-42)49-22-9-11-24-51(49)61/h3-40H,1-2H3
InChIKeyAAIORXOBAHHKKB-UHFFFAOYSA-N
XLogP18.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 518.09
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-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
CID 59194702
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
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-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158036486
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-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
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
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene (CID 59196441) is 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
The InChIKey is AAIORXOBAHHKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44/c1-65(2)58-29-15-14-27-55(58)64-56(28-16-30-59(64)65)63-53-26-13-12-25-52(53)62(54-38-37-47(40-57(54)63)46-36-31-41-17-6-7-20-45(41)39-46)44-34-32-43(33-35-44)61-50-23-10-8-21-48(50)60(42-18-4-3-5-19-42)49-22-9-11-24-51(49)61/h3-40H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene?
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene has a molecular weight of 825.07 g/mol, XLogP of 18.09, 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-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene is sourced from PubChem (CID 59196441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).