3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene

C30H22O2 — CID 101491428

IUPAC3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
SMILESCOc1ccc2c(c1)C1=C(c3ccccc3)c3ccc(OC)cc3C1=C2c1ccccc1
InChIInChI=1S/C30H22O2/c1-31-21-13-15-23-25(17-21)29-28(20-11-7-4-8-12-20)24-16-14-22(32-2)18-26(24)30(29)27(23)19-9-5-3-6-10-19/h3-18H,1-2H3
InChIKeyQSLXZCSTINCAEM-UHFFFAOYSA-N
MW414.50 g/mol
LogP6.95
Rot. Bonds4

About 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene

3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene (PubChem CID 101491428) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene.

Molecular Properties

Compound Name3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
PubChem CID101491428
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
SMILESCOc1ccc2c(c1)C1=C(c3ccccc3)c3ccc(OC)cc3C1=C2c1ccccc1
InChIInChI=1S/C30H22O2/c1-31-21-13-15-23-25(17-21)29-28(20-11-7-4-8-12-20)24-16-14-22(32-2)18-26(24)30(29)27(23)19-9-5-3-6-10-19/h3-18H,1-2H3
InChIKeyQSLXZCSTINCAEM-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate
CID 102078584
(5-methoxy-2-phenylphenyl)silane
CID 137328723
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol
CID 91537786
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
1-ethynyl-4-methoxy-2-phenylbenzene
CID 101442294
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene?
The IUPAC name of 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene (CID 101491428) is 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene.
What is the SMILES notation for 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene?
The canonical SMILES for 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene is COc1ccc2c(c1)C1=C(c3ccccc3)c3ccc(OC)cc3C1=C2c1ccccc1.
What is the InChIKey of 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene?
The InChIKey is QSLXZCSTINCAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c1-31-21-13-15-23-25(17-21)29-28(20-11-7-4-8-12-20)24-16-14-22(32-2)18-26(24)30(29)27(23)19-9-5-3-6-10-19/h3-18H,1-2H3.
What are the key properties of 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene?
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene has a molecular weight of 414.50 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene is sourced from PubChem (CID 101491428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).