1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene

C45H32 — CID 166545030

IUPAC1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
SMILESCc1cc2c(c(-c3c(-c4ccccc4-c4cccc5ccccc45)ccc4cc5ccccc5cc34)c1C)Cc1ccccc1-2
InChIInChI=1S/C45H32/c1-28-24-42-36-18-8-6-15-33(36)27-43(42)44(29(28)2)45-40(23-22-34-25-31-13-3-4-14-32(31)26-41(34)45)39-20-10-9-19-38(39)37-21-11-16-30-12-5-7-17-35(30)37/h3-26H,27H2,1-2H3
InChIKeyNLQOXTVAWDYNBH-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.34
Rot. Bonds3

About 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene

1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene (PubChem CID 166545030) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
PubChem CID166545030
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
SMILESCc1cc2c(c(-c3c(-c4ccccc4-c4cccc5ccccc45)ccc4cc5ccccc5cc34)c1C)Cc1ccccc1-2
InChIInChI=1S/C45H32/c1-28-24-42-36-18-8-6-15-33(36)27-43(42)44(29(28)2)45-40(23-22-34-25-31-13-3-4-14-32(31)26-41(34)45)39-20-10-9-19-38(39)37-21-11-16-30-12-5-7-17-35(30)37/h3-26H,27H2,1-2H3
InChIKeyNLQOXTVAWDYNBH-UHFFFAOYSA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 512.34
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)-2,3-diphenylanthracene
CID 166544861
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
CID 175811076
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
CID 141372306
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran
CID 166544924
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene (CID 166545030) is 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene is Cc1cc2c(c(-c3c(-c4ccccc4-c4cccc5ccccc45)ccc4cc5ccccc5cc34)c1C)Cc1ccccc1-2.
What is the InChIKey of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene?
The InChIKey is NLQOXTVAWDYNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-28-24-42-36-18-8-6-15-33(36)27-43(42)44(29(28)2)45-40(23-22-34-25-31-13-3-4-14-32(31)26-41(34)45)39-20-10-9-19-38(39)37-21-11-16-30-12-5-7-17-35(30)37/h3-26H,27H2,1-2H3.
What are the key properties of 1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene?
1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene has a molecular weight of 572.75 g/mol, XLogP of 12.34, 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-(2-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 166545030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).