2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C48H68 — CID 140577060

IUPAC2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(C)(C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C48H68/c1-15-16-25-48(14,42-38-26-30(44(2,3)4)17-21-34(38)35-22-18-31(27-39(35)42)45(5,6)7)43-40-28-32(46(8,9)10)19-23-36(40)37-24-20-33(29-41(37)43)47(11,12)13/h15,17-24,26-29,34-43H,1,16,25H2,2-14H3
InChIKeyNCMPCKQEYBJAKX-UHFFFAOYSA-N
MW645.07 g/mol
LogP13.32
Rot. Bonds5

About 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 140577060) has the molecular formula C48H68 and a molecular weight of 645.07 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID140577060
Molecular FormulaC48H68
Molecular Weight645.07 g/mol
Exact Mass644.53
IUPAC Name2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(C)(C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C48H68/c1-15-16-25-48(14,42-38-26-30(44(2,3)4)17-21-34(38)35-22-18-31(27-39(35)42)45(5,6)7)43-40-28-32(46(8,9)10)19-23-36(40)37-24-20-33(29-41(37)43)47(11,12)13/h15,17-24,26-29,34-43H,1,16,25H2,2-14H3
InChIKeyNCMPCKQEYBJAKX-UHFFFAOYSA-N
XLogP13.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.07
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 140577060) is 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is C=CCCC(C)(C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.
What is the InChIKey of 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is NCMPCKQEYBJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H68/c1-15-16-25-48(14,42-38-26-30(44(2,3)4)17-21-34(38)35-22-18-31(27-39(35)42)45(5,6)7)43-40-28-32(46(8,9)10)19-23-36(40)37-24-20-33(29-41(37)43)47(11,12)13/h15,17-24,26-29,34-43H,1,16,25H2,2-14H3.
What are the key properties of 2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 645.07 g/mol, XLogP of 13.32, 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-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 140577060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).