9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol

C44H26O2 — CID 5246971

IUPAC9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol
SMILESOC1(C#Cc2c3ccccc3c(C#CC3(O)c4ccccc4-c4ccccc43)c3ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H26O2/c45-43(39-21-9-5-17-35(39)36-18-6-10-22-40(36)43)27-25-33-29-13-1-2-14-30(29)34(32-16-4-3-15-31(32)33)26-28-44(46)41-23-11-7-19-37(41)38-20-8-12-24-42(38)44/h1-24,45-46H
InChIKeyNBVZDPJJPIFCHT-UHFFFAOYSA-N
MW586.69 g/mol
LogP8.53
Rot. Bonds

About 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol

9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol (PubChem CID 5246971) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol
PubChem CID5246971
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol
SMILESOC1(C#Cc2c3ccccc3c(C#CC3(O)c4ccccc4-c4ccccc43)c3ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H26O2/c45-43(39-21-9-5-17-35(39)36-18-6-10-22-40(36)43)27-25-33-29-13-1-2-14-30(29)34(32-16-4-3-15-31(32)33)26-28-44(46)41-23-11-7-19-37(41)38-20-8-12-24-42(38)44/h1-24,45-46H
InChIKeyNBVZDPJJPIFCHT-UHFFFAOYSA-N
XLogP8.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol?
The IUPAC name of 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol (CID 5246971) is 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol.
What is the SMILES notation for 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol?
The canonical SMILES for 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol is OC1(C#Cc2c3ccccc3c(C#CC3(O)c4ccccc4-c4ccccc43)c3ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol?
The InChIKey is NBVZDPJJPIFCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c45-43(39-21-9-5-17-35(39)36-18-6-10-22-40(36)43)27-25-33-29-13-1-2-14-30(29)34(32-16-4-3-15-31(32)33)26-28-44(46)41-23-11-7-19-37(41)38-20-8-12-24-42(38)44/h1-24,45-46H.
What are the key properties of 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol?
9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol has a molecular weight of 586.69 g/mol, XLogP of 8.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol is sourced from PubChem (CID 5246971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).