N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine

C113H140N2 — CID 102221479

IUPACN-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(N=C(c7ccccc7)c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C113H140N2/c1-7-13-19-25-31-49-75-111(76-50-32-26-20-14-8-2)103-81-91(93-65-71-99-101-73-67-95(114-109(87-55-41-37-42-56-87)88-57-43-38-44-58-88)85-107(101)112(105(99)83-93,77-51-33-27-21-15-9-3)78-52-34-28-22-16-10-4)63-69-97(103)98-70-64-92(82-104(98)111)94-66-72-100-102-74-68-96(115-110(89-59-45-39-46-60-89)90-61-47-40-48-62-90)86-108(102)113(106(100)84-94,79-53-35-29-23-17-11-5)80-54-36-30-24-18-12-6/h37-48,55-74,81-86H,7-36,49-54,75-80H2,1-6H3
InChIKeyUHUOYHWCWBVLHP-UHFFFAOYSA-N
MW1526.38 g/mol
LogP34.66
Rot. Bonds50

About N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine

N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine (PubChem CID 102221479) has the molecular formula C113H140N2 and a molecular weight of 1526.38 g/mol. Its IUPAC name is N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine
PubChem CID102221479
Molecular FormulaC113H140N2
Molecular Weight1526.38 g/mol
Exact Mass1525.10
IUPAC NameN-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(N=C(c7ccccc7)c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C113H140N2/c1-7-13-19-25-31-49-75-111(76-50-32-26-20-14-8-2)103-81-91(93-65-71-99-101-73-67-95(114-109(87-55-41-37-42-56-87)88-57-43-38-44-58-88)85-107(101)112(105(99)83-93,77-51-33-27-21-15-9-3)78-52-34-28-22-16-10-4)63-69-97(103)98-70-64-92(82-104(98)111)94-66-72-100-102-74-68-96(115-110(89-59-45-39-46-60-89)90-61-47-40-48-62-90)86-108(102)113(106(100)84-94,79-53-35-29-23-17-11-5)80-54-36-30-24-18-12-6/h37-48,55-74,81-86H,7-36,49-54,75-80H2,1-6H3
InChIKeyUHUOYHWCWBVLHP-UHFFFAOYSA-N
XLogP34.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds50
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001526.38
LogP ≤ 534.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine with MolForge

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Related Compounds

9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
N-[(Z)-3-[4-[7-[4-[[(Z)-3-anilino-1,3-diphenylprop-2-enylidene]amino]phenyl]-9,9-didodecylfluoren-2-yl]phenyl]imino-1,3-diphenylprop-1-enyl]aniline
CID 122204553
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
2,7-bis(9,9-dihexylfluoren-2-yl)-N-phenylfluoren-9-imine
CID 102042336
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
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
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913

Frequently Asked Questions

What is the IUPAC name of N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine (CID 102221479) is N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine is CCCCCCCCC1(CCCCCCCC)c2cc(N=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(N=C(c7ccccc7)c7ccccc7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine?
The InChIKey is UHUOYHWCWBVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H140N2/c1-7-13-19-25-31-49-75-111(76-50-32-26-20-14-8-2)103-81-91(93-65-71-99-101-73-67-95(114-109(87-55-41-37-42-56-87)88-57-43-38-44-58-88)85-107(101)112(105(99)83-93,77-51-33-27-21-15-9-3)78-52-34-28-22-16-10-4)63-69-97(103)98-70-64-92(82-104(98)111)94-66-72-100-102-74-68-96(115-110(89-59-45-39-46-60-89)90-61-47-40-48-62-90)86-108(102)113(106(100)84-94,79-53-35-29-23-17-11-5)80-54-36-30-24-18-12-6/h37-48,55-74,81-86H,7-36,49-54,75-80H2,1-6H3.
What are the key properties of N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine?
N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine has a molecular weight of 1526.38 g/mol, XLogP of 34.66, 50 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[7-[7-(benzhydrylideneamino)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 102221479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).