N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine

C95H66N6 — CID 59246393

IUPACN-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8n7)c7ccc8ccccc8n7)ccc5-6)ccc3-4)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C95H66N6/c1-93(2)79-53-59(33-43-71(79)73-47-41-67(57-81(73)93)100(89-49-37-63-17-5-13-25-85(63)96-89)90-50-38-64-18-6-14-26-86(64)97-90)29-31-61-35-45-75-76-46-36-62(56-84(76)95(83(75)55-61)77-23-11-9-21-69(77)70-22-10-12-24-78(70)95)32-30-60-34-44-72-74-48-42-68(58-82(74)94(3,4)80(72)54-60)101(91-51-39-65-19-7-15-27-87(65)98-91)92-52-40-66-20-8-16-28-88(66)99-92/h5-58H,1-4H3/b31-29+,32-30+
InChIKeyFKSKTJKPIFNBIO-JWTBXLROSA-N
MW1291.61 g/mol
LogP24.12
Rot. Bonds10

About N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine

N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (PubChem CID 59246393) has the molecular formula C95H66N6 and a molecular weight of 1291.61 g/mol. Its IUPAC name is N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
PubChem CID59246393
Molecular FormulaC95H66N6
Molecular Weight1291.61 g/mol
Exact Mass1290.53
IUPAC NameN-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8n7)c7ccc8ccccc8n7)ccc5-6)ccc3-4)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C95H66N6/c1-93(2)79-53-59(33-43-71(79)73-47-41-67(57-81(73)93)100(89-49-37-63-17-5-13-25-85(63)96-89)90-50-38-64-18-6-14-26-86(64)97-90)29-31-61-35-45-75-76-46-36-62(56-84(76)95(83(75)55-61)77-23-11-9-21-69(77)70-22-10-12-24-78(70)95)32-30-60-34-44-72-74-48-42-68(58-82(74)94(3,4)80(72)54-60)101(91-51-39-65-19-7-15-27-87(65)98-91)92-52-40-66-20-8-16-28-88(66)99-92/h5-58H,1-4H3/b31-29+,32-30+
InChIKeyFKSKTJKPIFNBIO-JWTBXLROSA-N
XLogP24.12
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.61
LogP ≤ 524.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The IUPAC name of N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (CID 59246393) is N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine.
What is the SMILES notation for N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The canonical SMILES for N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8n7)c7ccc8ccccc8n7)ccc5-6)ccc3-4)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21.
What is the InChIKey of N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is FKSKTJKPIFNBIO-JWTBXLROSA-N. The full InChI is InChI=1S/C95H66N6/c1-93(2)79-53-59(33-43-71(79)73-47-41-67(57-81(73)93)100(89-49-37-63-17-5-13-25-85(63)96-89)90-50-38-64-18-6-14-26-86(64)97-90)29-31-61-35-45-75-76-46-36-62(56-84(76)95(83(75)55-61)77-23-11-9-21-69(77)70-22-10-12-24-78(70)95)32-30-60-34-44-72-74-48-42-68(58-82(74)94(3,4)80(72)54-60)101(91-51-39-65-19-7-15-27-87(65)98-91)92-52-40-66-20-8-16-28-88(66)99-92/h5-58H,1-4H3/b31-29+,32-30+.
What are the key properties of N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 1291.61 g/mol, XLogP of 24.12, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 59246393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).