9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene

C46H34 — CID 59195621

IUPAC9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C46H34/c1-29-24-25-37-40(28-29)44(39-21-13-23-42-45(39)38-20-11-12-22-41(38)46(42,2)3)35-19-10-9-18-34(35)43(37)36-27-26-31(30-14-5-4-6-15-30)32-16-7-8-17-33(32)36/h4-28H,1-3H3
InChIKeyOEYYXVBTXMWARU-UHFFFAOYSA-N
MW586.78 g/mol
LogP12.76
Rot. Bonds3

About 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene

9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 59195621) has the molecular formula C46H34 and a molecular weight of 586.78 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID59195621
Molecular FormulaC46H34
Molecular Weight586.78 g/mol
Exact Mass586.27
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C46H34/c1-29-24-25-37-40(28-29)44(39-21-13-23-42-45(39)38-20-11-12-22-41(38)46(42,2)3)35-19-10-9-18-34(35)43(37)36-27-26-31(30-14-5-4-6-15-30)32-16-7-8-17-33(32)36/h4-28H,1-3H3
InChIKeyOEYYXVBTXMWARU-UHFFFAOYSA-N
XLogP12.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 512.76
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-(3,4-diphenylphenyl)-2-methylanthracene
CID 59195127
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
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
5-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-10-methylphenazine
CID 59195797
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
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-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
CID 59196124
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 59195621) is 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene is Cc1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is OEYYXVBTXMWARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34/c1-29-24-25-37-40(28-29)44(39-21-13-23-42-45(39)38-20-11-12-22-41(38)46(42,2)3)35-19-10-9-18-34(35)43(37)36-27-26-31(30-14-5-4-6-15-30)32-16-7-8-17-33(32)36/h4-28H,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene?
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 586.78 g/mol, XLogP of 12.76, 3 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-methyl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 59195621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).