9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene

C41H30 — CID 143811504

IUPAC9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3)c3ccccc23)c1
InChIInChI=1S/C41H30/c1-26-22-27(2)24-31(23-26)41-37-14-7-5-12-35(37)40(36-13-6-8-15-38(36)41)29-20-18-28(19-21-29)32-16-9-17-34-33-11-4-3-10-30(33)25-39(32)34/h3-24H,25H2,1-2H3
InChIKeyMPDFIFGAFFXLHF-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.18
Rot. Bonds3

About 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene

9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene (PubChem CID 143811504) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
PubChem CID143811504
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3)c3ccccc23)c1
InChIInChI=1S/C41H30/c1-26-22-27(2)24-31(23-26)41-37-14-7-5-12-35(37)40(36-13-6-8-15-38(36)41)29-20-18-28(19-21-29)32-16-9-17-34-33-11-4-3-10-30(33)25-39(32)34/h3-24H,25H2,1-2H3
InChIKeyMPDFIFGAFFXLHF-UHFFFAOYSA-N
XLogP11.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.18
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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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene?
The IUPAC name of 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene (CID 143811504) is 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene.
What is the SMILES notation for 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene?
The canonical SMILES for 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene is Cc1cc(C)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4Cc4ccccc4-5)cc3)c3ccccc23)c1.
What is the InChIKey of 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene?
The InChIKey is MPDFIFGAFFXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-26-22-27(2)24-31(23-26)41-37-14-7-5-12-35(37)40(36-13-6-8-15-38(36)41)29-20-18-28(19-21-29)32-16-9-17-34-33-11-4-3-10-30(33)25-39(32)34/h3-24H,25H2,1-2H3.
What are the key properties of 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene?
9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene has a molecular weight of 522.69 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene is sourced from PubChem (CID 143811504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).