1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene

C41H30 — CID 166544861

IUPAC1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
SMILESCc1cc2c(c(-c3c(-c4ccccc4)c(-c4ccccc4)cc4cc5ccccc5cc34)c1C)Cc1ccccc1-2
InChIInChI=1S/C41H30/c1-26-21-37-34-20-12-11-19-32(34)24-38(37)39(27(26)2)41-36-23-31-18-10-9-17-30(31)22-33(36)25-35(28-13-5-3-6-14-28)40(41)29-15-7-4-8-16-29/h3-23,25H,24H2,1-2H3
InChIKeyHQLQVWPBTIUPAP-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.18
Rot. Bonds3

About 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene

1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene (PubChem CID 166544861) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene.

Molecular Properties

Compound Name1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
PubChem CID166544861
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
SMILESCc1cc2c(c(-c3c(-c4ccccc4)c(-c4ccccc4)cc4cc5ccccc5cc34)c1C)Cc1ccccc1-2
InChIInChI=1S/C41H30/c1-26-21-37-34-20-12-11-19-32(34)24-38(37)39(27(26)2)41-36-23-31-18-10-9-17-30(31)22-33(36)25-35(28-13-5-3-6-14-28)40(41)29-15-7-4-8-16-29/h3-23,25H,24H2,1-2H3
InChIKeyHQLQVWPBTIUPAP-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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Related Compounds

1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
CID 166545030
1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
CID 141372306
N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
CID 175031439
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-(3-phenyl-1-benzoselenophen-2-yl)-6-(2-phenylphenyl)triazine
CID 166134239
1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran
CID 166544924
1-(4-cyclohexylphenyl)-2,3-dimethyl-9H-fluorene
CID 150811021
tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
CID 175811076
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
CID 166134012
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene?
The IUPAC name of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene (CID 166544861) is 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene.
What is the SMILES notation for 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene?
The canonical SMILES for 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene is Cc1cc2c(c(-c3c(-c4ccccc4)c(-c4ccccc4)cc4cc5ccccc5cc34)c1C)Cc1ccccc1-2.
What is the InChIKey of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene?
The InChIKey is HQLQVWPBTIUPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-26-21-37-34-20-12-11-19-32(34)24-38(37)39(27(26)2)41-36-23-31-18-10-9-17-30(31)22-33(36)25-35(28-13-5-3-6-14-28)40(41)29-15-7-4-8-16-29/h3-23,25H,24H2,1-2H3.
What are the key properties of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene?
1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene 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 1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene is sourced from PubChem (CID 166544861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).