2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

C59H44 — CID 139937279

IUPAC2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESC1=CC(C(c2ccccc2)(c2ccccc2)C2c3cc(Cc4ccccc4)ccc3-c3ccc(Cc4ccccc4)cc32)c2cccc(-c3cccc4ccccc34)c21
InChIInChI=1S/C59H44/c1-5-17-41(18-6-1)37-43-31-33-52-53-34-32-44(38-42-19-7-2-8-20-42)40-56(53)58(55(52)39-43)59(46-23-9-3-10-24-46,47-25-11-4-12-26-47)57-36-35-51-50(29-16-30-54(51)57)49-28-15-22-45-21-13-14-27-48(45)49/h1-36,39-40,57-58H,37-38H2
InChIKeyDAUWAWTUXGMPFW-UHFFFAOYSA-N
MW753.00 g/mol
LogP14.60
Rot. Bonds9

About 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (PubChem CID 139937279) has the molecular formula C59H44 and a molecular weight of 753.00 g/mol. Its IUPAC name is 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
PubChem CID139937279
Molecular FormulaC59H44
Molecular Weight753.00 g/mol
Exact Mass752.34
IUPAC Name2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESC1=CC(C(c2ccccc2)(c2ccccc2)C2c3cc(Cc4ccccc4)ccc3-c3ccc(Cc4ccccc4)cc32)c2cccc(-c3cccc4ccccc34)c21
InChIInChI=1S/C59H44/c1-5-17-41(18-6-1)37-43-31-33-52-53-34-32-44(38-42-19-7-2-8-20-42)40-56(53)58(55(52)39-43)59(46-23-9-3-10-24-46,47-25-11-4-12-26-47)57-36-35-51-50(29-16-30-54(51)57)49-28-15-22-45-21-13-14-27-48(45)49/h1-36,39-40,57-58H,37-38H2
InChIKeyDAUWAWTUXGMPFW-UHFFFAOYSA-N
XLogP14.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.00
LogP ≤ 514.60
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
9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937017
9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
CID 139937183
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
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-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 123329963
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266

Frequently Asked Questions

What is the IUPAC name of 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The IUPAC name of 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (CID 139937279) is 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The canonical SMILES for 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is C1=CC(C(c2ccccc2)(c2ccccc2)C2c3cc(Cc4ccccc4)ccc3-c3ccc(Cc4ccccc4)cc32)c2cccc(-c3cccc4ccccc34)c21.
What is the InChIKey of 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The InChIKey is DAUWAWTUXGMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44/c1-5-17-41(18-6-1)37-43-31-33-52-53-34-32-44(38-42-19-7-2-8-20-42)40-56(53)58(55(52)39-43)59(46-23-9-3-10-24-46,47-25-11-4-12-26-47)57-36-35-51-50(29-16-30-54(51)57)49-28-15-22-45-21-13-14-27-48(45)49/h1-36,39-40,57-58H,37-38H2.
What are the key properties of 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene has a molecular weight of 753.00 g/mol, XLogP of 14.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is sourced from PubChem (CID 139937279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).