2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C41H56 — CID 59637812

IUPAC2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2CCC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C41H56/c1-25-11-15-29-30-16-12-26(39(2,3)4)22-36(30)33(35(29)21-25)19-20-34-37-23-27(40(5,6)7)13-17-31(37)32-18-14-28(24-38(32)34)41(8,9)10/h11-18,21-24,29-38H,19-20H2,1-10H3
InChIKeyDPSKTIQGLXTSKT-UHFFFAOYSA-N
MW548.90 g/mol
LogP11.10
Rot. Bonds3

About 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 59637812) has the molecular formula C41H56 and a molecular weight of 548.90 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID59637812
Molecular FormulaC41H56
Molecular Weight548.90 g/mol
Exact Mass548.44
IUPAC Name2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2CCC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C41H56/c1-25-11-15-29-30-16-12-26(39(2,3)4)22-36(30)33(35(29)21-25)19-20-34-37-23-27(40(5,6)7)13-17-31(37)32-18-14-28(24-38(32)34)41(8,9)10/h11-18,21-24,29-38H,19-20H2,1-10H3
InChIKeyDPSKTIQGLXTSKT-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.90
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-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-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 59637812) is 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is CC1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2CCC1C2C=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-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is DPSKTIQGLXTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56/c1-25-11-15-29-30-16-12-26(39(2,3)4)22-36(30)33(35(29)21-25)19-20-34-37-23-27(40(5,6)7)13-17-31(37)32-18-14-28(24-38(32)34)41(8,9)10/h11-18,21-24,29-38H,19-20H2,1-10H3.
What are the key properties of 2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 548.90 g/mol, XLogP of 11.10, 3 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-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 59637812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).