2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine

C63H78N2 — CID 158152356

IUPAC2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine
SMILESCC1=C(C)c2c(C)cc(C)cc2C1.CC1=C(C)c2c(C)ccc(C)c2C1.CC1=C(C)c2c(ccc(C)c2C)C1.Cc1cc(C)c2c(C)c(C)cn2c1.Cc1cn2c(C)ccc(C)c2c1C
InChIInChI=1S/3C13H16.2C12H15N/c1-8-5-10(3)13-11(4)9(2)7-12(13)6-8;1-8-5-6-12-7-9(2)11(4)13(12)10(8)3;1-8-5-6-9(2)13-11(4)10(3)7-12(8)13;1-8-5-9(2)12-11(4)10(3)7-13(12)6-8;1-8-5-6-10(3)13-7-9(2)11(4)12(8)13/h3*5-6H,7H2,1-4H3;2*5-7H,1-4H3
InChIKeyFVGPLUVZSHWFIR-UHFFFAOYSA-N
MW863.33 g/mol
LogP17.30
Rot. Bonds

About 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine

2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine (PubChem CID 158152356) has the molecular formula C63H78N2 and a molecular weight of 863.33 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine
PubChem CID158152356
Molecular FormulaC63H78N2
Molecular Weight863.33 g/mol
Exact Mass862.62
IUPAC Name2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine
SMILESCC1=C(C)c2c(C)cc(C)cc2C1.CC1=C(C)c2c(C)ccc(C)c2C1.CC1=C(C)c2c(ccc(C)c2C)C1.Cc1cc(C)c2c(C)c(C)cn2c1.Cc1cn2c(C)ccc(C)c2c1C
InChIInChI=1S/3C13H16.2C12H15N/c1-8-5-10(3)13-11(4)9(2)7-12(13)6-8;1-8-5-6-12-7-9(2)11(4)13(12)10(8)3;1-8-5-6-9(2)13-11(4)10(3)7-12(8)13;1-8-5-9(2)12-11(4)10(3)7-13(12)6-8;1-8-5-6-10(3)13-7-9(2)11(4)12(8)13/h3*5-6H,7H2,1-4H3;2*5-7H,1-4H3
InChIKeyFVGPLUVZSHWFIR-UHFFFAOYSA-N
XLogP17.30
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.33
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine with MolForge

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Related Compounds

2,3,4,7-tetramethyl-1H-indene
CID 10942918
2,3,4,6,7-pentamethyl-1H-indene
CID 19366100
ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine
CID 161204846
5-bromo-2,3,4-trimethyl-1H-indene
CID 173231939
2,3,4,5-tetramethyl-9H-indeno[2,1-b]pyridine;2,3,4,6-tetramethyl-9H-indeno[2,1-b]pyridine;2,3,4,7-tetramethyl-9H-indeno[2,1-b]pyridine;2,3,4,8-tetramethyl-9H-indeno[2,1-b]pyridine;3,4,5,6-tetramethyl-9H-indeno[2,1-b]pyridine;3,4,5,7-tetramethyl-9H-indeno[2,1-b]pyridine;3,4,5,8-tetramethyl-9H-indeno[2,1-b]pyridine;3,4,8-trimethyl-9H-indeno[2,1-b]pyridine
CID 160644192
1,3,4,5-tetramethyl-9H-fluorene
CID 158222365
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
1,2,4,5-tetramethyl-3-(2,3,6-trimethylphenyl)benzene
CID 173377098
1,3,7-trimethyl-9H-fluorene
CID 59561098
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
CID 57209426

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine?
The IUPAC name of 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine (CID 158152356) is 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine.
What is the SMILES notation for 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine?
The canonical SMILES for 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine is CC1=C(C)c2c(C)cc(C)cc2C1.CC1=C(C)c2c(C)ccc(C)c2C1.CC1=C(C)c2c(ccc(C)c2C)C1.Cc1cc(C)c2c(C)c(C)cn2c1.Cc1cn2c(C)ccc(C)c2c1C.
What is the InChIKey of 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine?
The InChIKey is FVGPLUVZSHWFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16.2C12H15N/c1-8-5-10(3)13-11(4)9(2)7-12(13)6-8;1-8-5-6-12-7-9(2)11(4)13(12)10(8)3;1-8-5-6-9(2)13-11(4)10(3)7-12(8)13;1-8-5-9(2)12-11(4)10(3)7-13(12)6-8;1-8-5-6-10(3)13-7-9(2)11(4)12(8)13/h3*5-6H,7H2,1-4H3;2*5-7H,1-4H3.
What are the key properties of 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine?
2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine has a molecular weight of 863.33 g/mol, XLogP of 17.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-1H-indene;2,3,4,6-tetramethyl-1H-indene;2,3,4,7-tetramethyl-1H-indene;1,2,5,8-tetramethylindolizine;1,2,6,8-tetramethylindolizine is sourced from PubChem (CID 158152356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).