2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene

C45H56 — CID 57267216

IUPAC2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene
SMILESCc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2CC1c2cc(C(C)(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc21
InChIInChI=1S/C45H56/c1-26-19-30(44(9,10)11)23-38-36(34-21-28(42(3,4)5)15-17-32(34)40(26)38)25-37-35-22-29(43(6,7)8)16-18-33(35)41-27(2)20-31(24-39(37)41)45(12,13)14/h15-24,36-37H,25H2,1-14H3
InChIKeyQAZNIQFYFMMWBQ-UHFFFAOYSA-N
MW596.94 g/mol
LogP12.81
Rot. Bonds2

About 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene

2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene (PubChem CID 57267216) has the molecular formula C45H56 and a molecular weight of 596.94 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene
PubChem CID57267216
Molecular FormulaC45H56
Molecular Weight596.94 g/mol
Exact Mass596.44
IUPAC Name2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene
SMILESCc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2CC1c2cc(C(C)(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc21
InChIInChI=1S/C45H56/c1-26-19-30(44(9,10)11)23-38-36(34-21-28(42(3,4)5)15-17-32(34)40(26)38)25-37-35-22-29(43(6,7)8)16-18-33(35)41-27(2)20-31(24-39(37)41)45(12,13)14/h15-24,36-37H,25H2,1-14H3
InChIKeyQAZNIQFYFMMWBQ-UHFFFAOYSA-N
XLogP12.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.94
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene (CID 57267216) is 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene is Cc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2CC1c2cc(C(C)(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc21.
What is the InChIKey of 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene?
The InChIKey is QAZNIQFYFMMWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H56/c1-26-19-30(44(9,10)11)23-38-36(34-21-28(42(3,4)5)15-17-32(34)40(26)38)25-37-35-22-29(43(6,7)8)16-18-33(35)41-27(2)20-31(24-39(37)41)45(12,13)14/h15-24,36-37H,25H2,1-14H3.
What are the key properties of 2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene?
2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene has a molecular weight of 596.94 g/mol, XLogP of 12.81, 2 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-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene is sourced from PubChem (CID 57267216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).