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

C53H46 — CID 139937040

IUPAC2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCC1=Cc2cccc(C(C)C)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(Cc3ccccc3)ccc2-c2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C53H46/c1-36(2)45-26-16-21-42-31-37(3)51(50(42)45)53(43-22-12-6-13-23-43,44-24-14-7-15-25-44)52-48-34-40(32-38-17-8-4-9-18-38)27-29-46(48)47-30-28-41(35-49(47)52)33-39-19-10-5-11-20-39/h4-31,34-36,51-52H,32-33H2,1-3H3
InChIKeyJHXZKCMSASEPPE-UHFFFAOYSA-N
MW682.95 g/mol
LogP13.29
Rot. Bonds9

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

2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (PubChem CID 139937040) has the molecular formula C53H46 and a molecular weight of 682.95 g/mol. Its IUPAC name is 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
PubChem CID139937040
Molecular FormulaC53H46
Molecular Weight682.95 g/mol
Exact Mass682.36
IUPAC Name2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCC1=Cc2cccc(C(C)C)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(Cc3ccccc3)ccc2-c2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C53H46/c1-36(2)45-26-16-21-42-31-37(3)51(50(42)45)53(43-22-12-6-13-23-43,44-24-14-7-15-25-44)52-48-34-40(32-38-17-8-4-9-18-38)27-29-46(48)47-30-28-41(35-49(47)52)33-39-19-10-5-11-20-39/h4-31,34-36,51-52H,32-33H2,1-3H3
InChIKeyJHXZKCMSASEPPE-UHFFFAOYSA-N
XLogP13.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.95
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
CID 139937081
2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
CID 139937216
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937084
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937279
1-benzyl-7-propan-2-yl-1H-indene-2-carboxylic acid
CID 158073551
9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
CID 139937183
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937205

Frequently Asked Questions

What is the IUPAC name of 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The IUPAC name of 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (CID 139937040) is 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The canonical SMILES for 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is CC1=Cc2cccc(C(C)C)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(Cc3ccccc3)ccc2-c2ccc(Cc3ccccc3)cc21.
What is the InChIKey of 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The InChIKey is JHXZKCMSASEPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46/c1-36(2)45-26-16-21-42-31-37(3)51(50(42)45)53(43-22-12-6-13-23-43,44-24-14-7-15-25-44)52-48-34-40(32-38-17-8-4-9-18-38)27-29-46(48)47-30-28-41(35-49(47)52)33-39-19-10-5-11-20-39/h4-31,34-36,51-52H,32-33H2,1-3H3.
What are the key properties of 2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene has a molecular weight of 682.95 g/mol, XLogP of 13.29, 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-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is sourced from PubChem (CID 139937040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).