3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]

C28H20O2 — CID 19083923

IUPAC3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
SMILESCC1=C(c2ccccc2)Oc2ccccc2C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C28H20O2/c1-19-27(21-10-3-2-4-11-21)29-26-14-8-7-13-24(26)28(19)18-17-23-22-12-6-5-9-20(22)15-16-25(23)30-28/h2-18H,1H3
InChIKeyYHZHMTSCOHCZCF-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.96
Rot. Bonds1

About 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]

3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] (PubChem CID 19083923) has the molecular formula C28H20O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene].

Molecular Properties

Compound Name3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
PubChem CID19083923
Molecular FormulaC28H20O2
Molecular Weight388.47 g/mol
Exact Mass388.15
IUPAC Name3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
SMILESCC1=C(c2ccccc2)Oc2ccccc2C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C28H20O2/c1-19-27(21-10-3-2-4-11-21)29-26-14-8-7-13-24(26)28(19)18-17-23-22-12-6-5-9-20(22)15-16-25(23)30-28/h2-18H,1H3
InChIKeyYHZHMTSCOHCZCF-UHFFFAOYSA-N
XLogP6.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084318
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
3'-(4-methoxyphenyl)-8-nitro-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084502
3-methyl-3-phenylbenzo[f]chromene
CID 10849806
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
CID 10527161
CID 10527161
2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
CID 100954914
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
3'-phenylspiro[benzo[f]chromene-3,2'-chromene]
CID 19084037
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
2-[3-(4-methoxy-2-methylphenyl)benzo[f]chromen-3-yl]-1-methylpyrrole
CID 69101584
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
The IUPAC name of 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] (CID 19083923) is 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene].
What is the SMILES notation for 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
The canonical SMILES for 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] is CC1=C(c2ccccc2)Oc2ccccc2C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
The InChIKey is YHZHMTSCOHCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O2/c1-19-27(21-10-3-2-4-11-21)29-26-14-8-7-13-24(26)28(19)18-17-23-22-12-6-5-9-20(22)15-16-25(23)30-28/h2-18H,1H3.
What are the key properties of 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]?
3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] has a molecular weight of 388.47 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene] is sourced from PubChem (CID 19083923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).