1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane

C168H244N4 — CID 158723149

IUPAC1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCc1cc(CC)cc(-c2ccc3c(c2)Cc2ccccc2-3)c1.CCc1cc(CC)cc(-c2ccc3c(c2)Cc2ccccc2-3)c1.CCc1cc(CC)cc(-c2cccc3c2-c2ccccc2C3)c1.CCc1cc(CC)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/4C23H22.4C12H17N.12C2H6.4CH4/c1-3-16-12-17(4-2)14-20(13-16)22-11-7-9-19-15-18-8-5-6-10-21(18)23(19)22;1-3-16-12-17(4-2)14-19(13-16)21-10-7-11-22-20-9-6-5-8-18(20)15-23(21)22;2*1-3-16-11-17(4-2)13-20(12-16)18-9-10-23-21(14-18)15-19-7-5-6-8-22(19)23;4*1-4-13-10(3)9(2)11-7-5-6-8-12(11)13;12*1-2;;;;/h4*5-14H,3-4,15H2,1-2H3;4*5-10H,4H2,1-3H3;12*1-2H3;4*1H4/t;;;;4*9-,10+;;;;;;;;;;;;;;;;/m....0000................/s1
InChIKeyIKDZWSUZWWXDHT-KQDJEDRFSA-N
MW2319.83 g/mol
LogP51.13
Rot. Bonds16

About 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane

1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane (PubChem CID 158723149) has the molecular formula C168H244N4 and a molecular weight of 2319.83 g/mol. Its IUPAC name is 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane.

Molecular Properties

Compound Name1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane
PubChem CID158723149
Molecular FormulaC168H244N4
Molecular Weight2319.83 g/mol
Exact Mass2317.92
IUPAC Name1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCc1cc(CC)cc(-c2ccc3c(c2)Cc2ccccc2-3)c1.CCc1cc(CC)cc(-c2ccc3c(c2)Cc2ccccc2-3)c1.CCc1cc(CC)cc(-c2cccc3c2-c2ccccc2C3)c1.CCc1cc(CC)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/4C23H22.4C12H17N.12C2H6.4CH4/c1-3-16-12-17(4-2)14-20(13-16)22-11-7-9-19-15-18-8-5-6-10-21(18)23(19)22;1-3-16-12-17(4-2)14-19(13-16)21-10-7-11-22-20-9-6-5-8-18(20)15-23(21)22;2*1-3-16-11-17(4-2)13-20(12-16)18-9-10-23-21(14-18)15-19-7-5-6-8-22(19)23;4*1-4-13-10(3)9(2)11-7-5-6-8-12(11)13;12*1-2;;;;/h4*5-14H,3-4,15H2,1-2H3;4*5-10H,4H2,1-3H3;12*1-2H3;4*1H4/t;;;;4*9-,10+;;;;;;;;;;;;;;;;/m....0000................/s1
InChIKeyIKDZWSUZWWXDHT-KQDJEDRFSA-N
XLogP51.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002319.83
LogP ≤ 551.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane?
The IUPAC name of 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane (CID 158723149) is 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane.
What is the SMILES notation for 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane?
The canonical SMILES for 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCN1c2ccccc2[C@@H](C)[C@H]1C.CCc1cc(CC)cc(-c2ccc3c(c2)Cc2ccccc2-3)c1.CCc1cc(CC)cc(-c2ccc3c(c2)Cc2ccccc2-3)c1.CCc1cc(CC)cc(-c2cccc3c2-c2ccccc2C3)c1.CCc1cc(CC)cc(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane?
The InChIKey is IKDZWSUZWWXDHT-KQDJEDRFSA-N. The full InChI is InChI=1S/4C23H22.4C12H17N.12C2H6.4CH4/c1-3-16-12-17(4-2)14-20(13-16)22-11-7-9-19-15-18-8-5-6-10-21(18)23(19)22;1-3-16-12-17(4-2)14-19(13-16)21-10-7-11-22-20-9-6-5-8-18(20)15-23(21)22;2*1-3-16-11-17(4-2)13-20(12-16)18-9-10-23-21(14-18)15-19-7-5-6-8-22(19)23;4*1-4-13-10(3)9(2)11-7-5-6-8-12(11)13;12*1-2;;;;/h4*5-14H,3-4,15H2,1-2H3;4*5-10H,4H2,1-3H3;12*1-2H3;4*1H4/t;;;;4*9-,10+;;;;;;;;;;;;;;;;/m....0000................/s1.
What are the key properties of 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane?
1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane has a molecular weight of 2319.83 g/mol, XLogP of 51.13, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethylphenyl)-9H-fluorene;bis(2-(3,5-diethylphenyl)-9H-fluorene);4-(3,5-diethylphenyl)-9H-fluorene;ethane;tetrakis((2R,3R)-1-ethyl-2,3-dimethyl-2,3-dihydroindole);methane is sourced from PubChem (CID 158723149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).