9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene

C37H24 — CID 143848174

IUPAC9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
SMILESc1ccc2c(c1)Cc1ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc1-2
InChIInChI=1S/C37H24/c1-2-10-25-21-28(19-17-24(25)9-1)36-31-13-5-7-15-33(31)37(34-16-8-6-14-32(34)36)29-20-18-27-22-26-11-3-4-12-30(26)35(27)23-29/h1-21,23H,22H2
InChIKeyMKRXLHVFDVIFDH-UHFFFAOYSA-N
MW468.60 g/mol
LogP10.05
Rot. Bonds2

About 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene

9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene (PubChem CID 143848174) has the molecular formula C37H24 and a molecular weight of 468.60 g/mol. Its IUPAC name is 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
PubChem CID143848174
Molecular FormulaC37H24
Molecular Weight468.60 g/mol
Exact Mass468.19
IUPAC Name9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
SMILESc1ccc2c(c1)Cc1ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc1-2
InChIInChI=1S/C37H24/c1-2-10-25-21-28(19-17-24(25)9-1)36-31-13-5-7-15-33(31)37(34-16-8-6-14-32(34)36)29-20-18-27-22-26-11-3-4-12-30(26)35(27)23-29/h1-21,23H,22H2
InChIKeyMKRXLHVFDVIFDH-UHFFFAOYSA-N
XLogP10.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 510.05
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-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene (CID 143848174) is 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene is c1ccc2c(c1)Cc1ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc1-2.
What is the InChIKey of 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene?
The InChIKey is MKRXLHVFDVIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24/c1-2-10-25-21-28(19-17-24(25)9-1)36-31-13-5-7-15-33(31)37(34-16-8-6-14-32(34)36)29-20-18-27-22-26-11-3-4-12-30(26)35(27)23-29/h1-21,23H,22H2.
What are the key properties of 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene?
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene has a molecular weight of 468.60 g/mol, XLogP of 10.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 143848174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).