7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole

C37H47N — CID 167346478

IUPAC7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(CC(C)C)c4c3=NCC=4)cc21
InChIInChI=1S/C37H47N/c1-5-7-9-13-22-37(23-14-10-8-6-2)34-16-12-11-15-32(34)33-20-18-29(26-35(33)37)30-19-17-28(25-27(3)4)31-21-24-38-36(30)31/h11-12,15-21,26-27H,5-10,13-14,22-25H2,1-4H3
InChIKeyKGNJGQPHZVDDIY-UHFFFAOYSA-N
MW505.79 g/mol
LogP9.17
Rot. Bonds13

About 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole

7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole (PubChem CID 167346478) has the molecular formula C37H47N and a molecular weight of 505.79 g/mol. Its IUPAC name is 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole.

Molecular Properties

Compound Name7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole
PubChem CID167346478
Molecular FormulaC37H47N
Molecular Weight505.79 g/mol
Exact Mass505.37
IUPAC Name7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(CC(C)C)c4c3=NCC=4)cc21
InChIInChI=1S/C37H47N/c1-5-7-9-13-22-37(23-14-10-8-6-2)34-16-12-11-15-32(34)33-20-18-29(26-35(33)37)30-19-17-28(25-27(3)4)31-21-24-38-36(30)31/h11-12,15-21,26-27H,5-10,13-14,22-25H2,1-4H3
InChIKeyKGNJGQPHZVDDIY-UHFFFAOYSA-N
XLogP9.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.79
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2Z)-2-[(2E,4E,6E)-7-[5-fluoro-3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]-3a,4,5,6,7,7a-hexahydroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3,5-trimethyl-1H-inden-1-yl]propyl-trimethylazanium
CID 160509905
N-propylfluoren-9-imine
CID 13528992
N-benzyl-1-[(2S)-2-methyl-2,3-dihydro-1H-inden-4-yl]ethanimine
CID 102375032
N-benzyl-1-(2-methyl-2,3-dihydro-1H-inden-4-yl)ethanimine
CID 134834547
N-benzyl-2,5-dimethyl-2,3-dihydroinden-1-imine
CID 166437262
N-benzyl-5-methyl-2-prop-2-enyl-2,3-dihydroinden-1-imine
CID 166437264
(Z)-2-[(9S)-2-ethyl-9-(trifluoromethyl)-9H-fluoren-4-yl]-N-methylbut-2-en-1-imine
CID 143972555
1-N,2-N,3-trimethyl-6-[4-(4-methyl-2-octylphenyl)-3-octylphenyl]cyclohexa-3,5-diene-1,2-diimine
CID 20762111
1-N,2-N,3-trimethyl-6-(7-methyl-9,9-dioctylfluoren-2-yl)cyclohexa-3,5-diene-1,2-diimine
CID 20779707
2-(9H-fluoren-9-yl)-1-N,3-N-dimethylcyclohex-4-ene-1,3-diimine
CID 21660995
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene;zirconium(3+);dichloride
CID 21954295
[6-azanidylidene-2-[4-(7-methyl-9H-fluoren-2-yl)buta-1,3-dienyl]-5-penta-1,3-dienylcyclohexa-2,4-dien-1-ylidene]azanide;tris(yttrium)
CID 57582557

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole?
The IUPAC name of 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole (CID 167346478) is 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole.
What is the SMILES notation for 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole?
The canonical SMILES for 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(CC(C)C)c4c3=NCC=4)cc21.
What is the InChIKey of 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole?
The InChIKey is KGNJGQPHZVDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N/c1-5-7-9-13-22-37(23-14-10-8-6-2)34-16-12-11-15-32(34)33-20-18-29(26-35(33)37)30-19-17-28(25-27(3)4)31-21-24-38-36(30)31/h11-12,15-21,26-27H,5-10,13-14,22-25H2,1-4H3.
What are the key properties of 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole?
7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole has a molecular weight of 505.79 g/mol, XLogP of 9.17, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dihexylfluoren-2-yl)-4-(2-methylpropyl)-2H-indole is sourced from PubChem (CID 167346478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).