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

C46H48 — CID 139937266

IUPAC2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
SMILESCC(C)c1cccc2c1C(C(c1ccccc1)(c1ccccc1)C1c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)C=C2
InChIInChI=1S/C46H48/c1-30(2)36-21-15-16-31-22-27-41(42(31)36)46(32-17-11-9-12-18-32,33-19-13-10-14-20-33)43-39-28-34(44(3,4)5)23-25-37(39)38-26-24-35(29-40(38)43)45(6,7)8/h9-30,41,43H,1-8H3
InChIKeyWUTUJOXGOWDCHZ-UHFFFAOYSA-N
MW600.89 g/mol
LogP12.31
Rot. Bonds5

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

2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene (PubChem CID 139937266) has the molecular formula C46H48 and a molecular weight of 600.89 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
PubChem CID139937266
Molecular FormulaC46H48
Molecular Weight600.89 g/mol
Exact Mass600.38
IUPAC Name2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
SMILESCC(C)c1cccc2c1C(C(c1ccccc1)(c1ccccc1)C1c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)C=C2
InChIInChI=1S/C46H48/c1-30(2)36-21-15-16-31-22-27-41(42(31)36)46(32-17-11-9-12-18-32,33-19-13-10-14-20-33)43-39-28-34(44(3,4)5)23-25-37(39)38-26-24-35(29-40(38)43)45(6,7)8/h9-30,41,43H,1-8H3
InChIKeyWUTUJOXGOWDCHZ-UHFFFAOYSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.89
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
2,7-ditert-butyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937205
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-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937049
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
CID 139937081
2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937084
(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane
CID 102398546

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene (CID 139937266) is 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene is CC(C)c1cccc2c1C(C(c1ccccc1)(c1ccccc1)C1c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)C=C2.
What is the InChIKey of 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene?
The InChIKey is WUTUJOXGOWDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48/c1-30(2)36-21-15-16-31-22-27-41(42(31)36)46(32-17-11-9-12-18-32,33-19-13-10-14-20-33)43-39-28-34(44(3,4)5)23-25-37(39)38-26-24-35(29-40(38)43)45(6,7)8/h9-30,41,43H,1-8H3.
What are the key properties of 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene?
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene has a molecular weight of 600.89 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene is sourced from PubChem (CID 139937266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).