3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane

C87H121N5 — CID 158726101

IUPAC3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane
SMILESCC.CC.CC.CC.CC.Cc1[nH]ncc1C(C)(C)C.Cc1cc2c(cc1C(C)(C)C)-c1ccccc1C2.Cc1cc2c(cc1C(C)(C)C)-c1cccnc1C2.Cc1cc2c(cc1C(C)(C)C)-c1ccncc1C2.Cc1cc2c(cc1C(C)(C)C)-c1cnccc1C2
InChIInChI=1S/C18H20.3C17H19N.C8H14N2.5C2H6/c1-12-9-14-10-13-7-5-6-8-15(13)16(14)11-17(12)18(2,3)4;1-11-7-12-8-13-10-18-6-5-14(13)15(12)9-16(11)17(2,3)4;1-11-7-13-8-12-5-6-18-10-15(12)14(13)9-16(11)17(2,3)4;1-11-8-12-9-16-13(6-5-7-18-16)14(12)10-15(11)17(2,3)4;1-6-7(5-9-10-6)8(2,3)4;5*1-2/h5-9,11H,10H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-8,10H,9H2,1-4H3;5H,1-4H3,(H,9,10);5*1-2H3
InChIKeyIKNFBMZTNKDWAD-UHFFFAOYSA-N
MW1236.96 g/mol
LogP24.79
Rot. Bonds

About 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane

3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane (PubChem CID 158726101) has the molecular formula C87H121N5 and a molecular weight of 1236.96 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane
PubChem CID158726101
Molecular FormulaC87H121N5
Molecular Weight1236.96 g/mol
Exact Mass1235.96
IUPAC Name3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane
SMILESCC.CC.CC.CC.CC.Cc1[nH]ncc1C(C)(C)C.Cc1cc2c(cc1C(C)(C)C)-c1ccccc1C2.Cc1cc2c(cc1C(C)(C)C)-c1cccnc1C2.Cc1cc2c(cc1C(C)(C)C)-c1ccncc1C2.Cc1cc2c(cc1C(C)(C)C)-c1cnccc1C2
InChIInChI=1S/C18H20.3C17H19N.C8H14N2.5C2H6/c1-12-9-14-10-13-7-5-6-8-15(13)16(14)11-17(12)18(2,3)4;1-11-7-12-8-13-10-18-6-5-14(13)15(12)9-16(11)17(2,3)4;1-11-7-13-8-12-5-6-18-10-15(12)14(13)9-16(11)17(2,3)4;1-11-8-12-9-16-13(6-5-7-18-16)14(12)10-15(11)17(2,3)4;1-6-7(5-9-10-6)8(2,3)4;5*1-2/h5-9,11H,10H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-8,10H,9H2,1-4H3;5H,1-4H3,(H,9,10);5*1-2H3
InChIKeyIKNFBMZTNKDWAD-UHFFFAOYSA-N
XLogP24.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001236.96
LogP ≤ 524.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane with MolForge

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Launch Full Analysis

Related Compounds

6-(1-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole
CID 54583636
US11008312, Example 154
CID 139432190
(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(1H-pyrazol-5-yl)pyrazin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 135287921
(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(1H-pyrazol-5-yl)pyrazin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 135297763
(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 139432193
5-[2-[2-fluoro-4-[[6-[2-fluoro-4-[6-(3-fluoro-4-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]-5-methylphenyl]-5-(1H-indazol-5-yl)-3-pyridinyl]methyl]phenyl]-3-pyridinyl]-1H-indazole
CID 155371057
2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methylpyridine
CID 169839099
3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine
CID 170983852
(9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 58879538
(9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 58879564
Iridium(3+);2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(2-phenylpyridine)
CID 58904114
Iridium(3+);2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(2-phenylpyridine)
CID 58904126

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane?
The IUPAC name of 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane (CID 158726101) is 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane.
What is the SMILES notation for 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane?
The canonical SMILES for 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane is CC.CC.CC.CC.CC.Cc1[nH]ncc1C(C)(C)C.Cc1cc2c(cc1C(C)(C)C)-c1ccccc1C2.Cc1cc2c(cc1C(C)(C)C)-c1cccnc1C2.Cc1cc2c(cc1C(C)(C)C)-c1ccncc1C2.Cc1cc2c(cc1C(C)(C)C)-c1cnccc1C2.
What is the InChIKey of 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane?
The InChIKey is IKNFBMZTNKDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.3C17H19N.C8H14N2.5C2H6/c1-12-9-14-10-13-7-5-6-8-15(13)16(14)11-17(12)18(2,3)4;1-11-7-12-8-13-10-18-6-5-14(13)15(12)9-16(11)17(2,3)4;1-11-7-13-8-12-5-6-18-10-15(12)14(13)9-16(11)17(2,3)4;1-11-8-12-9-16-13(6-5-7-18-16)14(12)10-15(11)17(2,3)4;1-6-7(5-9-10-6)8(2,3)4;5*1-2/h5-9,11H,10H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-8,10H,9H2,1-4H3;5H,1-4H3,(H,9,10);5*1-2H3.
What are the key properties of 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane?
3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane has a molecular weight of 1236.96 g/mol, XLogP of 24.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane is sourced from PubChem (CID 158726101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).