6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]

C31H24O2 — CID 118319966

IUPAC6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
SMILESCOc1ccc2c(c1)C1(C=C2c2ccccc2)C=C(c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C31H24O2/c1-32-23-13-15-25-27(21-9-5-3-6-10-21)19-31(29(25)17-23)20-28(22-11-7-4-8-12-22)26-16-14-24(33-2)18-30(26)31/h3-20H,1-2H3
InChIKeyVIMJJNWUFXBSFB-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.88
Rot. Bonds4

About 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]

6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene] (PubChem CID 118319966) has the molecular formula C31H24O2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene].

Molecular Properties

Compound Name6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
PubChem CID118319966
Molecular FormulaC31H24O2
Molecular Weight428.53 g/mol
Exact Mass428.18
IUPAC Name6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
SMILESCOc1ccc2c(c1)C1(C=C2c2ccccc2)C=C(c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C31H24O2/c1-32-23-13-15-25-27(21-9-5-3-6-10-21)19-31(29(25)17-23)20-28(22-11-7-4-8-12-22)26-16-14-24(33-2)18-30(26)31/h3-20H,1-2H3
InChIKeyVIMJJNWUFXBSFB-UHFFFAOYSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6'-methoxy-6-methyl-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118316397
(5-methoxy-2-phenylphenyl)silane
CID 137328723
2-cyclopropyl-4-methoxy-1-phenylbenzene
CID 173009156
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
methyl 2-hydroxy-6-methoxy-4-phenylchromene-2-carboxylate
CID 53360037
7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]
CID 18770929
7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]
CID 18770964
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
7-methoxy-2-methyl-4-phenyl-1H-isoquinoline
CID 11601267
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]?
The IUPAC name of 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene] (CID 118319966) is 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene].
What is the SMILES notation for 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]?
The canonical SMILES for 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene] is COc1ccc2c(c1)C1(C=C2c2ccccc2)C=C(c2ccccc2)c2ccc(OC)cc21.
What is the InChIKey of 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]?
The InChIKey is VIMJJNWUFXBSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O2/c1-32-23-13-15-25-27(21-9-5-3-6-10-21)19-31(29(25)17-23)20-28(22-11-7-4-8-12-22)26-16-14-24(33-2)18-30(26)31/h3-20H,1-2H3.
What are the key properties of 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]?
6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene] has a molecular weight of 428.53 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene] is sourced from PubChem (CID 118319966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).