2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

C50H40 — CID 139937084

IUPAC2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1c3cc(Cc4ccccc4)ccc3-c3ccc(Cc4ccccc4)cc31)C=C2
InChIInChI=1S/C50H40/c1-35-22-25-40-26-29-48(45(40)30-35)50(41-18-10-4-11-19-41,42-20-12-5-13-21-42)49-46-33-38(31-36-14-6-2-7-15-36)23-27-43(46)44-28-24-39(34-47(44)49)32-37-16-8-3-9-17-37/h2-30,33-34,48-49H,31-32H2,1H3
InChIKeyGELZMZYYHQQXSA-UHFFFAOYSA-N
MW640.87 g/mol
LogP12.09
Rot. Bonds8

About 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (PubChem CID 139937084) has the molecular formula C50H40 and a molecular weight of 640.87 g/mol. Its IUPAC name is 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
PubChem CID139937084
Molecular FormulaC50H40
Molecular Weight640.87 g/mol
Exact Mass640.31
IUPAC Name2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1c3cc(Cc4ccccc4)ccc3-c3ccc(Cc4ccccc4)cc31)C=C2
InChIInChI=1S/C50H40/c1-35-22-25-40-26-29-48(45(40)30-35)50(41-18-10-4-11-19-41,42-20-12-5-13-21-42)49-46-33-38(31-36-14-6-2-7-15-36)23-27-43(46)44-28-24-39(34-47(44)49)32-37-16-8-3-9-17-37/h2-30,33-34,48-49H,31-32H2,1H3
InChIKeyGELZMZYYHQQXSA-UHFFFAOYSA-N
XLogP12.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.87
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
CID 139937183
2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937279
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937205
2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937267
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
CID 139937081
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
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-benzyl-4-methylbenzene;toluene
CID 144690555

Frequently Asked Questions

What is the IUPAC name of 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The IUPAC name of 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (CID 139937084) is 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The canonical SMILES for 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is Cc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1c3cc(Cc4ccccc4)ccc3-c3ccc(Cc4ccccc4)cc31)C=C2.
What is the InChIKey of 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The InChIKey is GELZMZYYHQQXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40/c1-35-22-25-40-26-29-48(45(40)30-35)50(41-18-10-4-11-19-41,42-20-12-5-13-21-42)49-46-33-38(31-36-14-6-2-7-15-36)23-27-43(46)44-28-24-39(34-47(44)49)32-37-16-8-3-9-17-37/h2-30,33-34,48-49H,31-32H2,1H3.
What are the key properties of 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene has a molecular weight of 640.87 g/mol, XLogP of 12.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is sourced from PubChem (CID 139937084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).