3'-phenylspiro[benzo[f]chromene-3,2'-chromene]

C27H18O2 — CID 19084037

IUPAC3'-phenylspiro[benzo[f]chromene-3,2'-chromene]
SMILESC1=CC2(Oc3ccccc3C=C2c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C27H18O2/c1-2-9-20(10-3-1)24-18-21-11-5-7-13-25(21)28-27(24)17-16-23-22-12-6-4-8-19(22)14-15-26(23)29-27/h1-18H
InChIKeyHILWJWSVLCURGR-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.57
Rot. Bonds1

About 3'-phenylspiro[benzo[f]chromene-3,2'-chromene]

3'-phenylspiro[benzo[f]chromene-3,2'-chromene] (PubChem CID 19084037) has the molecular formula C27H18O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3'-phenylspiro[benzo[f]chromene-3,2'-chromene].

Molecular Properties

Compound Name3'-phenylspiro[benzo[f]chromene-3,2'-chromene]
PubChem CID19084037
Molecular FormulaC27H18O2
Molecular Weight374.44 g/mol
Exact Mass374.13
IUPAC Name3'-phenylspiro[benzo[f]chromene-3,2'-chromene]
SMILESC1=CC2(Oc3ccccc3C=C2c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C27H18O2/c1-2-9-20(10-3-1)24-18-21-11-5-7-13-25(21)28-27(24)17-16-23-22-12-6-4-8-19(22)14-15-26(23)29-27/h1-18H
InChIKeyHILWJWSVLCURGR-UHFFFAOYSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-phenylspiro[benzo[f]chromene-3,2'-chromene]?
The IUPAC name of 3'-phenylspiro[benzo[f]chromene-3,2'-chromene] (CID 19084037) is 3'-phenylspiro[benzo[f]chromene-3,2'-chromene].
What is the SMILES notation for 3'-phenylspiro[benzo[f]chromene-3,2'-chromene]?
The canonical SMILES for 3'-phenylspiro[benzo[f]chromene-3,2'-chromene] is C1=CC2(Oc3ccccc3C=C2c2ccccc2)Oc2ccc3ccccc3c21.
What is the InChIKey of 3'-phenylspiro[benzo[f]chromene-3,2'-chromene]?
The InChIKey is HILWJWSVLCURGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O2/c1-2-9-20(10-3-1)24-18-21-11-5-7-13-25(21)28-27(24)17-16-23-22-12-6-4-8-19(22)14-15-26(23)29-27/h1-18H.
What are the key properties of 3'-phenylspiro[benzo[f]chromene-3,2'-chromene]?
3'-phenylspiro[benzo[f]chromene-3,2'-chromene] has a molecular weight of 374.44 g/mol, XLogP of 6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenylspiro[benzo[f]chromene-3,2'-chromene] is sourced from PubChem (CID 19084037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).