9-benzhydrylidene-2-methylfluorene

C27H20 — CID 631309

IUPAC9-benzhydrylidene-2-methylfluorene
SMILESCc1ccc2c(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C27H20/c1-19-16-17-23-22-14-8-9-15-24(22)27(25(23)18-19)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18H,1H3
InChIKeyHDQLDQKKCPOPRY-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.98
Rot. Bonds2

About 9-benzhydrylidene-2-methylfluorene

9-benzhydrylidene-2-methylfluorene (PubChem CID 631309) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-benzhydrylidene-2-methylfluorene.

Molecular Properties

Compound Name9-benzhydrylidene-2-methylfluorene
PubChem CID631309
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name9-benzhydrylidene-2-methylfluorene
SMILESCc1ccc2c(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C27H20/c1-19-16-17-23-22-14-8-9-15-24(22)27(25(23)18-19)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18H,1H3
InChIKeyHDQLDQKKCPOPRY-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-benzhydrylidene-2-methylfluorene?
The IUPAC name of 9-benzhydrylidene-2-methylfluorene (CID 631309) is 9-benzhydrylidene-2-methylfluorene.
What is the SMILES notation for 9-benzhydrylidene-2-methylfluorene?
The canonical SMILES for 9-benzhydrylidene-2-methylfluorene is Cc1ccc2c(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1-2.
What is the InChIKey of 9-benzhydrylidene-2-methylfluorene?
The InChIKey is HDQLDQKKCPOPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-19-16-17-23-22-14-8-9-15-24(22)27(25(23)18-19)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18H,1H3.
What are the key properties of 9-benzhydrylidene-2-methylfluorene?
9-benzhydrylidene-2-methylfluorene has a molecular weight of 344.46 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydrylidene-2-methylfluorene is sourced from PubChem (CID 631309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).