2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene

C40H26 — CID 10744186

IUPAC2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
SMILESc1ccc2cc(-c3ccc4ccccc4c3-c3c(-c4ccc5ccccc5c4)ccc4ccccc34)ccc2c1
InChIInChI=1S/C40H26/c1-3-13-31-25-33(19-17-27(31)9-1)37-23-21-29-11-5-7-15-35(29)39(37)40-36-16-8-6-12-30(36)22-24-38(40)34-20-18-28-10-2-4-14-32(28)26-34/h1-26H
InChIKeyVPHPJRXVRVLFIT-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.30
Rot. Bonds3

About 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene

2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene (PubChem CID 10744186) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
PubChem CID10744186
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
SMILESc1ccc2cc(-c3ccc4ccccc4c3-c3c(-c4ccc5ccccc5c4)ccc4ccccc34)ccc2c1
InChIInChI=1S/C40H26/c1-3-13-31-25-33(19-17-27(31)9-1)37-23-21-29-11-5-7-15-35(29)39(37)40-36-16-8-6-12-30(36)22-24-38(40)34-20-18-28-10-2-4-14-32(28)26-34/h1-26H
InChIKeyVPHPJRXVRVLFIT-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene?
The IUPAC name of 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene (CID 10744186) is 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene is c1ccc2cc(-c3ccc4ccccc4c3-c3c(-c4ccc5ccccc5c4)ccc4ccccc34)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene?
The InChIKey is VPHPJRXVRVLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-3-13-31-25-33(19-17-27(31)9-1)37-23-21-29-11-5-7-15-35(29)39(37)40-36-16-8-6-12-30(36)22-24-38(40)34-20-18-28-10-2-4-14-32(28)26-34/h1-26H.
What are the key properties of 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene?
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene has a molecular weight of 506.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 10744186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).