9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene

C37H30 — CID 139937183

IUPAC9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
SMILESCc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=Cc3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C37H30/c1-25-17-20-31-32-21-18-26(2)24-34(32)36(33(31)23-25)37(28-12-5-3-6-13-28,29-14-7-4-8-15-29)35-22-19-27-11-9-10-16-30(27)35/h3-24,35-36H,1-2H3
InChIKeyRJYBKBPZMSSZJE-UHFFFAOYSA-N
MW474.65 g/mol
LogP9.21
Rot. Bonds4

About 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene

9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene (PubChem CID 139937183) has the molecular formula C37H30 and a molecular weight of 474.65 g/mol. Its IUPAC name is 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene.

Molecular Properties

Compound Name9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
PubChem CID139937183
Molecular FormulaC37H30
Molecular Weight474.65 g/mol
Exact Mass474.23
IUPAC Name9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
SMILESCc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=Cc3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C37H30/c1-25-17-20-31-32-21-18-26(2)24-34(32)36(33(31)23-25)37(28-12-5-3-6-13-28,29-14-7-4-8-15-29)35-22-19-27-11-9-10-16-30(27)35/h3-24,35-36H,1-2H3
InChIKeyRJYBKBPZMSSZJE-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937084
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937205
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
CID 139937081
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937017
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937279
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
CID 19033347
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792

Frequently Asked Questions

What is the IUPAC name of 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene?
The IUPAC name of 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene (CID 139937183) is 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene.
What is the SMILES notation for 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene?
The canonical SMILES for 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene is Cc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=Cc3ccccc31)c1cc(C)ccc1-2.
What is the InChIKey of 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene?
The InChIKey is RJYBKBPZMSSZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30/c1-25-17-20-31-32-21-18-26(2)24-34(32)36(33(31)23-25)37(28-12-5-3-6-13-28,29-14-7-4-8-15-29)35-22-19-27-11-9-10-16-30(27)35/h3-24,35-36H,1-2H3.
What are the key properties of 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene?
9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene has a molecular weight of 474.65 g/mol, XLogP of 9.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene is sourced from PubChem (CID 139937183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).