1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine

C39H43N — CID 71663652

IUPAC1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(/C=N/c3ccc4c(c3)Cc3ccccc3-4)cc21
InChIInChI=1S/C39H43N/c1-3-5-7-13-23-39(24-14-8-6-4-2)37-18-12-11-17-35(37)36-21-19-29(25-38(36)39)28-40-32-20-22-34-31(27-32)26-30-15-9-10-16-33(30)34/h9-12,15-22,25,27-28H,3-8,13-14,23-24,26H2,1-2H3/b40-28+
InChIKeyJXOVGVYVZFMXLB-JFXHSDHMSA-N
MW525.78 g/mol
LogP11.22
Rot. Bonds12

About 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine

1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine (PubChem CID 71663652) has the molecular formula C39H43N and a molecular weight of 525.78 g/mol. Its IUPAC name is 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine.

Molecular Properties

Compound Name1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine
PubChem CID71663652
Molecular FormulaC39H43N
Molecular Weight525.78 g/mol
Exact Mass525.34
IUPAC Name1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(/C=N/c3ccc4c(c3)Cc3ccccc3-4)cc21
InChIInChI=1S/C39H43N/c1-3-5-7-13-23-39(24-14-8-6-4-2)37-18-12-11-17-35(37)36-21-19-29(25-38(36)39)28-40-32-20-22-34-31(27-32)26-30-15-9-10-16-33(30)34/h9-12,15-22,25,27-28H,3-8,13-14,23-24,26H2,1-2H3/b40-28+
InChIKeyJXOVGVYVZFMXLB-JFXHSDHMSA-N
XLogP11.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.78
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-9,9-dihexylfluorene
CID 86189845
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289
2-methyl-9,9-di(tetradecyl)-3H-cyclopenta[b]fluorene
CID 86694795
9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160836885
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
9H-fluorene;henicosane
CID 174789372
2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene
CID 102254188

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine?
The IUPAC name of 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine (CID 71663652) is 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine.
What is the SMILES notation for 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine?
The canonical SMILES for 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(/C=N/c3ccc4c(c3)Cc3ccccc3-4)cc21.
What is the InChIKey of 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine?
The InChIKey is JXOVGVYVZFMXLB-JFXHSDHMSA-N. The full InChI is InChI=1S/C39H43N/c1-3-5-7-13-23-39(24-14-8-6-4-2)37-18-12-11-17-35(37)36-21-19-29(25-38(36)39)28-40-32-20-22-34-31(27-32)26-30-15-9-10-16-33(30)34/h9-12,15-22,25,27-28H,3-8,13-14,23-24,26H2,1-2H3/b40-28+.
What are the key properties of 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine?
1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine has a molecular weight of 525.78 g/mol, XLogP of 11.22, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine is sourced from PubChem (CID 71663652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).