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

C42H32 — CID 59196543

IUPAC9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C42H32/c1-27-20-25-33-36(26-27)40(35-17-11-19-38-41(35)34-16-9-10-18-37(34)42(38,2)3)32-15-8-7-14-31(32)39(33)30-23-21-29(22-24-30)28-12-5-4-6-13-28/h4-26H,1-3H3
InChIKeyFXIBAXOXXJZCKB-UHFFFAOYSA-N
MW536.72 g/mol
LogP11.61
Rot. Bonds3

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

9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene (PubChem CID 59196543) has the molecular formula C42H32 and a molecular weight of 536.72 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
PubChem CID59196543
Molecular FormulaC42H32
Molecular Weight536.72 g/mol
Exact Mass536.25
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C42H32/c1-27-20-25-33-36(26-27)40(35-17-11-19-38-41(35)34-16-9-10-18-37(34)42(38,2)3)32-15-8-7-14-31(32)39(33)30-23-21-29(22-24-30)28-12-5-4-6-13-28/h4-26H,1-3H3
InChIKeyFXIBAXOXXJZCKB-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 511.61
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-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-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
3-[4-[10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]phenyl]benzonitrile
CID 167178488
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
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

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene (CID 59196543) is 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene is Cc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3cccc4c3-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene?
The InChIKey is FXIBAXOXXJZCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32/c1-27-20-25-33-36(26-27)40(35-17-11-19-38-41(35)34-16-9-10-18-37(34)42(38,2)3)32-15-8-7-14-31(32)39(33)30-23-21-29(22-24-30)28-12-5-4-6-13-28/h4-26H,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene?
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene has a molecular weight of 536.72 g/mol, XLogP of 11.61, 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-phenylphenyl)anthracene is sourced from PubChem (CID 59196543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).