2-(trinaphthalen-2-ylmethyl)naphthalene

C41H28 — CID 101401266

IUPAC2-(trinaphthalen-2-ylmethyl)naphthalene
SMILESc1ccc2cc(C(c3ccc4ccccc4c3)(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C41H28/c1-5-13-33-25-37(21-17-29(33)9-1)41(38-22-18-30-10-2-6-14-34(30)26-38,39-23-19-31-11-3-7-15-35(31)27-39)40-24-20-32-12-4-8-16-36(32)28-40/h1-28H
InChIKeyHUMIGYLDTRVFOY-UHFFFAOYSA-N
MW520.68 g/mol
LogP10.68
Rot. Bonds4

About 2-(trinaphthalen-2-ylmethyl)naphthalene

2-(trinaphthalen-2-ylmethyl)naphthalene (PubChem CID 101401266) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-(trinaphthalen-2-ylmethyl)naphthalene.

Molecular Properties

Compound Name2-(trinaphthalen-2-ylmethyl)naphthalene
PubChem CID101401266
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name2-(trinaphthalen-2-ylmethyl)naphthalene
SMILESc1ccc2cc(C(c3ccc4ccccc4c3)(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C41H28/c1-5-13-33-25-37(21-17-29(33)9-1)41(38-22-18-30-10-2-6-14-34(30)26-38,39-23-19-31-11-3-7-15-35(31)27-39)40-24-20-32-12-4-8-16-36(32)28-40/h1-28H
InChIKeyHUMIGYLDTRVFOY-UHFFFAOYSA-N
XLogP10.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trinaphthalen-2-ylmethyl)naphthalene?
The IUPAC name of 2-(trinaphthalen-2-ylmethyl)naphthalene (CID 101401266) is 2-(trinaphthalen-2-ylmethyl)naphthalene.
What is the SMILES notation for 2-(trinaphthalen-2-ylmethyl)naphthalene?
The canonical SMILES for 2-(trinaphthalen-2-ylmethyl)naphthalene is c1ccc2cc(C(c3ccc4ccccc4c3)(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 2-(trinaphthalen-2-ylmethyl)naphthalene?
The InChIKey is HUMIGYLDTRVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-5-13-33-25-37(21-17-29(33)9-1)41(38-22-18-30-10-2-6-14-34(30)26-38,39-23-19-31-11-3-7-15-35(31)27-39)40-24-20-32-12-4-8-16-36(32)28-40/h1-28H.
What are the key properties of 2-(trinaphthalen-2-ylmethyl)naphthalene?
2-(trinaphthalen-2-ylmethyl)naphthalene has a molecular weight of 520.68 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trinaphthalen-2-ylmethyl)naphthalene is sourced from PubChem (CID 101401266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).