3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)

C51H60 — CID 143462508

IUPAC3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
SMILESCc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)CC1c3ccc(C)cc3CCC21
InChIInChI=1S/C19H20.4C8H10/c1-12-3-6-16-14(9-12)5-8-18-17-7-4-13(2)10-15(17)11-19(16)18;4*1-7-3-5-8(2)6-4-7/h3-4,6-7,9-10,18-19H,5,8,11H2,1-2H3;4*3-6H,1-2H3
InChIKeyORFYSMHWSACWIY-UHFFFAOYSA-N
MW673.04 g/mol
LogP13.89
Rot. Bonds

About 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)

3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene) (PubChem CID 143462508) has the molecular formula C51H60 and a molecular weight of 673.04 g/mol. Its IUPAC name is 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene).

Molecular Properties

Compound Name3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
PubChem CID143462508
Molecular FormulaC51H60
Molecular Weight673.04 g/mol
Exact Mass672.47
IUPAC Name3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
SMILESCc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)CC1c3ccc(C)cc3CCC21
InChIInChI=1S/C19H20.4C8H10/c1-12-3-6-16-14(9-12)5-8-18-17-7-4-13(2)10-15(17)11-19(16)18;4*1-7-3-5-8(2)6-4-7/h3-4,6-7,9-10,18-19H,5,8,11H2,1-2H3;4*3-6H,1-2H3
InChIKeyORFYSMHWSACWIY-UHFFFAOYSA-N
XLogP13.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.04
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)?
The IUPAC name of 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene) (CID 143462508) is 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene).
What is the SMILES notation for 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)?
The canonical SMILES for 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene) is Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)CC1c3ccc(C)cc3CCC21.
What is the InChIKey of 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)?
The InChIKey is ORFYSMHWSACWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20.4C8H10/c1-12-3-6-16-14(9-12)5-8-18-17-7-4-13(2)10-15(17)11-19(16)18;4*1-7-3-5-8(2)6-4-7/h3-4,6-7,9-10,18-19H,5,8,11H2,1-2H3;4*3-6H,1-2H3.
What are the key properties of 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)?
3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene) has a molecular weight of 673.04 g/mol, XLogP of 13.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene) is sourced from PubChem (CID 143462508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).