2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene

C33H22O — CID 169032361

IUPAC2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
SMILESC1=CC(c2ccc3ccccc3c2)(c2cccc3ccccc23)Oc2c1ccc1ccccc21
InChIInChI=1S/C33H22O/c1-2-11-27-22-28(19-18-23(27)8-1)33(31-15-7-12-24-9-3-5-13-29(24)31)21-20-26-17-16-25-10-4-6-14-30(25)32(26)34-33/h1-22H
InChIKeyIRVYTFBAHSLDDJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.50
Rot. Bonds2

About 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene

2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene (PubChem CID 169032361) has the molecular formula C33H22O and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
PubChem CID169032361
Molecular FormulaC33H22O
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
SMILESC1=CC(c2ccc3ccccc3c2)(c2cccc3ccccc23)Oc2c1ccc1ccccc21
InChIInChI=1S/C33H22O/c1-2-11-27-22-28(19-18-23(27)8-1)33(31-15-7-12-24-9-3-5-13-29(24)31)21-20-26-17-16-25-10-4-6-14-30(25)32(26)34-33/h1-22H
InChIKeyIRVYTFBAHSLDDJ-UHFFFAOYSA-N
XLogP8.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene?
The IUPAC name of 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene (CID 169032361) is 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene.
What is the SMILES notation for 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene?
The canonical SMILES for 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene is C1=CC(c2ccc3ccccc3c2)(c2cccc3ccccc23)Oc2c1ccc1ccccc21.
What is the InChIKey of 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene?
The InChIKey is IRVYTFBAHSLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O/c1-2-11-27-22-28(19-18-23(27)8-1)33(31-15-7-12-24-9-3-5-13-29(24)31)21-20-26-17-16-25-10-4-6-14-30(25)32(26)34-33/h1-22H.
What are the key properties of 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene?
2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene has a molecular weight of 434.54 g/mol, XLogP of 8.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene is sourced from PubChem (CID 169032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).