2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine

C69H77N — CID 102042336

IUPAC2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=Nc3ccccc3)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C69H77N/c1-5-9-13-24-42-68(43-25-14-10-6-2)63-32-22-20-30-57(63)59-40-36-52(48-65(59)68)50-34-38-55-56-39-35-51(47-62(56)67(61(55)46-50)70-54-28-18-17-19-29-54)53-37-41-60-58-31-21-23-33-64(58)69(66(60)49-53,44-26-15-11-7-3)45-27-16-12-8-4/h17-23,28-41,46-49H,5-16,24-27,42-45H2,1-4H3
InChIKeyHOSYCPGAEXSKFB-UHFFFAOYSA-N
MW920.38 g/mol
LogP20.58
Rot. Bonds23

About 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine

2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine (PubChem CID 102042336) has the molecular formula C69H77N and a molecular weight of 920.38 g/mol. Its IUPAC name is 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine.

Molecular Properties

Compound Name2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine
PubChem CID102042336
Molecular FormulaC69H77N
Molecular Weight920.38 g/mol
Exact Mass919.61
IUPAC Name2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=Nc3ccccc3)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C69H77N/c1-5-9-13-24-42-68(43-25-14-10-6-2)63-32-22-20-30-57(63)59-40-36-52(48-65(59)68)50-34-38-55-56-39-35-51(47-62(56)67(61(55)46-50)70-54-28-18-17-19-29-54)53-37-41-60-58-31-21-23-33-64(58)69(66(60)49-53,44-26-15-11-7-3)45-27-16-12-8-4/h17-23,28-41,46-49H,5-16,24-27,42-45H2,1-4H3
InChIKeyHOSYCPGAEXSKFB-UHFFFAOYSA-N
XLogP20.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.38
LogP ≤ 520.58
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

9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
2,5-bis[5-(9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophene
CID 71413070
2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102074609
3-[2-(9,9-dioctylfluoren-2-yl)-9-[3-(trimethylazaniumyl)propyl]fluoren-9-yl]propyl-trimethylazanium
CID 102467018
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
CID 102430700
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine?
The IUPAC name of 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine (CID 102042336) is 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine.
What is the SMILES notation for 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine?
The canonical SMILES for 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(=Nc3ccccc3)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine?
The InChIKey is HOSYCPGAEXSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H77N/c1-5-9-13-24-42-68(43-25-14-10-6-2)63-32-22-20-30-57(63)59-40-36-52(48-65(59)68)50-34-38-55-56-39-35-51(47-62(56)67(61(55)46-50)70-54-28-18-17-19-29-54)53-37-41-60-58-31-21-23-33-64(58)69(66(60)49-53,44-26-15-11-7-3)45-27-16-12-8-4/h17-23,28-41,46-49H,5-16,24-27,42-45H2,1-4H3.
What are the key properties of 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine?
2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine has a molecular weight of 920.38 g/mol, XLogP of 20.58, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine is sourced from PubChem (CID 102042336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).