(1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene

C26H18Cl2O — CID 139079231

IUPAC(1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene
SMILESC[C@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C26H18Cl2O/c1-26(19-9-13-21(28)14-10-19)16-24(18-6-11-20(27)12-7-18)29-23-15-8-17-4-2-3-5-22(17)25(23)26/h2-16H,1H3/t26-/m1/s1
InChIKeyVHXIUWCKOGXYHR-AREMUKBSSA-N
MW417.34 g/mol
LogP7.89
Rot. Bonds2

About (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene

(1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene (PubChem CID 139079231) has the molecular formula C26H18Cl2O and a molecular weight of 417.34 g/mol. Its IUPAC name is (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene.

Molecular Properties

Compound Name(1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene
PubChem CID139079231
Molecular FormulaC26H18Cl2O
Molecular Weight417.34 g/mol
Exact Mass416.07
IUPAC Name(1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene
SMILESC[C@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C26H18Cl2O/c1-26(19-9-13-21(28)14-10-19)16-24(18-6-11-20(27)12-7-18)29-23-15-8-17-4-2-3-5-22(17)25(23)26/h2-16H,1H3/t26-/m1/s1
InChIKeyVHXIUWCKOGXYHR-AREMUKBSSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methoxyphenyl)spiro[benzo[f]chromene-1,2'-indene]-1',3'-dione
CID 139228865
1-methyl-1,3-dithiophen-2-ylbenzo[f]chromene
CID 45112967
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
spiro[1,3-benzodioxole-2,12'-benzo[a]xanthene]
CID 71361465
2-(4-chlorophenyl)-5-(4-naphthalen-1-ylphenyl)furan
CID 143850881
6-tert-butyl-4-methyl-2,4-diphenylchromene
CID 45112727
13,13-dichloro-12-(4-chlorophenyl)-11-oxatetracyclo[8.5.0.02,7.012,14]pentadeca-1(10),2,4,6,8-pentaene
CID 154926374
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
5-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 177100588
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170025386
13,13-dibromo-12-(4-chlorophenyl)-11-oxatetracyclo[8.5.0.02,7.012,14]pentadeca-1(10),2,4,6,8-pentaene
CID 154926383

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene?
The IUPAC name of (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene (CID 139079231) is (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene.
What is the SMILES notation for (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene?
The canonical SMILES for (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene is C[C@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)Oc2ccc3ccccc3c21.
What is the InChIKey of (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene?
The InChIKey is VHXIUWCKOGXYHR-AREMUKBSSA-N. The full InChI is InChI=1S/C26H18Cl2O/c1-26(19-9-13-21(28)14-10-19)16-24(18-6-11-20(27)12-7-18)29-23-15-8-17-4-2-3-5-22(17)25(23)26/h2-16H,1H3/t26-/m1/s1.
What are the key properties of (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene?
(1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene has a molecular weight of 417.34 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene is sourced from PubChem (CID 139079231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).