2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene

C38H26 — CID 157108614

IUPAC2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
SMILESCc1ccccc1-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2
InChIInChI=1S/C38H26/c1-24-10-2-3-11-26(24)28-17-9-19-34-33-18-8-16-27(37(33)23-38(28)34)25-20-21-35-31-14-5-4-12-29(31)30-13-6-7-15-32(30)36(35)22-25/h2-22H,23H2,1H3
InChIKeyMSKDYZHPBOGLAV-UHFFFAOYSA-N
MW482.63 g/mol
LogP10.36
Rot. Bonds2

About 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene

2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene (PubChem CID 157108614) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene.

Molecular Properties

Compound Name2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
PubChem CID157108614
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
SMILESCc1ccccc1-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2
InChIInChI=1S/C38H26/c1-24-10-2-3-11-26(24)28-17-9-19-34-33-18-8-16-27(37(33)23-38(28)34)25-20-21-35-31-14-5-4-12-29(31)30-13-6-7-15-32(30)36(35)22-25/h2-22H,23H2,1H3
InChIKeyMSKDYZHPBOGLAV-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
The IUPAC name of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene (CID 157108614) is 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene.
What is the SMILES notation for 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
The canonical SMILES for 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene is Cc1ccccc1-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2.
What is the InChIKey of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
The InChIKey is MSKDYZHPBOGLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-24-10-2-3-11-26(24)28-17-9-19-34-33-18-8-16-27(37(33)23-38(28)34)25-20-21-35-31-14-5-4-12-29(31)30-13-6-7-15-32(30)36(35)22-25/h2-22H,23H2,1H3.
What are the key properties of 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene?
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene has a molecular weight of 482.63 g/mol, XLogP of 10.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene is sourced from PubChem (CID 157108614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).