2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene

C44H36 — CID 159175556

IUPAC2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)Cc1c-2ccc2c1Cc1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc(C)ccc1-3
InChIInChI=1S/2C22H18/c1-13-3-5-19-15(7-13)9-17-11-22-18(12-21(17)19)10-16-8-14(2)4-6-20(16)22;1-13-3-5-17-15(9-13)11-21-19(17)7-8-20-18-6-4-14(2)10-16(18)12-22(20)21/h3-8,11-12H,9-10H2,1-2H3;3-10H,11-12H2,1-2H3
InChIKeyKMFQIYQFFHQKFJ-UHFFFAOYSA-N
MW564.77 g/mol
LogP10.89
Rot. Bonds

About 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene

2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene (PubChem CID 159175556) has the molecular formula C44H36 and a molecular weight of 564.77 g/mol. Its IUPAC name is 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene.

Molecular Properties

Compound Name2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
PubChem CID159175556
Molecular FormulaC44H36
Molecular Weight564.77 g/mol
Exact Mass564.28
IUPAC Name2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)Cc1c-2ccc2c1Cc1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc(C)ccc1-3
InChIInChI=1S/2C22H18/c1-13-3-5-19-15(7-13)9-17-11-22-18(12-21(17)19)10-16-8-14(2)4-6-20(16)22;1-13-3-5-17-15(9-13)11-21-19(17)7-8-20-18-6-4-14(2)10-16(18)12-22(20)21/h3-8,11-12H,9-10H2,1-2H3;3-10H,11-12H2,1-2H3
InChIKeyKMFQIYQFFHQKFJ-UHFFFAOYSA-N
XLogP10.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene with MolForge

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Related Compounds

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2-methyl-11,12-dihydroindeno[2,1-a]fluorene
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CID 59561098
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2,7-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,9-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;bis(2-methyl-7-(3-methylphenyl)-9H-fluorene);bis(2-methyl-7-(4-methylphenyl)-9H-fluorene);6-methyl-2-(3-methylphenyl)-9H-fluorene;6-methyl-2-(4-methylphenyl)-9H-fluorene
CID 159386502
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
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10-methyl-7,12-dihydroindeno[1,2-a]fluorene
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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene?
The IUPAC name of 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene (CID 159175556) is 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene.
What is the SMILES notation for 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene?
The canonical SMILES for 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene is Cc1ccc2c(c1)Cc1c-2ccc2c1Cc1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc(C)ccc1-3.
What is the InChIKey of 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene?
The InChIKey is KMFQIYQFFHQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18/c1-13-3-5-19-15(7-13)9-17-11-22-18(12-21(17)19)10-16-8-14(2)4-6-20(16)22;1-13-3-5-17-15(9-13)11-21-19(17)7-8-20-18-6-4-14(2)10-16(18)12-22(20)21/h3-8,11-12H,9-10H2,1-2H3;3-10H,11-12H2,1-2H3.
What are the key properties of 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene?
2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene has a molecular weight of 564.77 g/mol, XLogP of 10.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene is sourced from PubChem (CID 159175556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).