2,11-bis(9H-fluoren-1-yl)triphenylene

C44H28 — CID 59489264

IUPAC2,11-bis(9H-fluoren-1-yl)triphenylene
SMILESc1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccc(-c6cccc7c6Cc6ccccc6-7)cc5c4c3)cccc1-2
InChIInChI=1S/C44H28/c1-3-11-31-27(9-1)23-41-33(15-7-17-35(31)41)29-19-21-39-37-13-5-6-14-38(37)40-22-20-30(26-44(40)43(39)25-29)34-16-8-18-36-32-12-4-2-10-28(32)24-42(34)36/h1-22,25-26H,23-24H2
InChIKeyUHIGJFOLQUBPSI-UHFFFAOYSA-N
MW556.71 g/mol
LogP11.62
Rot. Bonds2

About 2,11-bis(9H-fluoren-1-yl)triphenylene

2,11-bis(9H-fluoren-1-yl)triphenylene (PubChem CID 59489264) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 2,11-bis(9H-fluoren-1-yl)triphenylene.

Molecular Properties

Compound Name2,11-bis(9H-fluoren-1-yl)triphenylene
PubChem CID59489264
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name2,11-bis(9H-fluoren-1-yl)triphenylene
SMILESc1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccc(-c6cccc7c6Cc6ccccc6-7)cc5c4c3)cccc1-2
InChIInChI=1S/C44H28/c1-3-11-31-27(9-1)23-41-33(15-7-17-35(31)41)29-19-21-39-37-13-5-6-14-38(37)40-22-20-30(26-44(40)43(39)25-29)34-16-8-18-36-32-12-4-2-10-28(32)24-42(34)36/h1-22,25-26H,23-24H2
InChIKeyUHIGJFOLQUBPSI-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,11-bis(9H-fluoren-1-yl)triphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,11-bis(9H-fluoren-1-yl)triphenylene?
The IUPAC name of 2,11-bis(9H-fluoren-1-yl)triphenylene (CID 59489264) is 2,11-bis(9H-fluoren-1-yl)triphenylene.
What is the SMILES notation for 2,11-bis(9H-fluoren-1-yl)triphenylene?
The canonical SMILES for 2,11-bis(9H-fluoren-1-yl)triphenylene is c1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccc(-c6cccc7c6Cc6ccccc6-7)cc5c4c3)cccc1-2.
What is the InChIKey of 2,11-bis(9H-fluoren-1-yl)triphenylene?
The InChIKey is UHIGJFOLQUBPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-3-11-31-27(9-1)23-41-33(15-7-17-35(31)41)29-19-21-39-37-13-5-6-14-38(37)40-22-20-30(26-44(40)43(39)25-29)34-16-8-18-36-32-12-4-2-10-28(32)24-42(34)36/h1-22,25-26H,23-24H2.
What are the key properties of 2,11-bis(9H-fluoren-1-yl)triphenylene?
2,11-bis(9H-fluoren-1-yl)triphenylene has a molecular weight of 556.71 g/mol, XLogP of 11.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-bis(9H-fluoren-1-yl)triphenylene is sourced from PubChem (CID 59489264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).