9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene

C48H36 — CID 59195127

IUPAC9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C48H36/c1-31-25-27-38-42(29-31)46(40-22-14-24-44-47(40)39-21-12-13-23-43(39)48(44,2)3)37-20-11-10-19-36(37)45(38)34-26-28-35(32-15-6-4-7-16-32)41(30-34)33-17-8-5-9-18-33/h4-30H,1-3H3
InChIKeyLKHCPBUXZNACIM-UHFFFAOYSA-N
MW612.82 g/mol
LogP13.28
Rot. Bonds4

About 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene

9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene (PubChem CID 59195127) has the molecular formula C48H36 and a molecular weight of 612.82 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene
PubChem CID59195127
Molecular FormulaC48H36
Molecular Weight612.82 g/mol
Exact Mass612.28
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C48H36/c1-31-25-27-38-42(29-31)46(40-22-14-24-44-47(40)39-21-12-13-23-43(39)48(44,2)3)37-20-11-10-19-36(37)45(38)34-26-28-35(32-15-6-4-7-16-32)41(30-34)33-17-8-5-9-18-33/h4-30H,1-3H3
InChIKeyLKHCPBUXZNACIM-UHFFFAOYSA-N
XLogP13.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.82
LogP ≤ 513.28
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)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195621
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
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene (CID 59195127) is 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene is Cc1ccc2c(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene?
The InChIKey is LKHCPBUXZNACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36/c1-31-25-27-38-42(29-31)46(40-22-14-24-44-47(40)39-21-12-13-23-43(39)48(44,2)3)37-20-11-10-19-36(37)45(38)34-26-28-35(32-15-6-4-7-16-32)41(30-34)33-17-8-5-9-18-33/h4-30H,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene?
9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene has a molecular weight of 612.82 g/mol, XLogP of 13.28, 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-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene is sourced from PubChem (CID 59195127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).