N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine

C91H66N6 — CID 59246145

IUPACN-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8n7)c7ccc8ccccc8n7)ccc5-6)ccc3-4)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C91H66N6/c1-89(2)75-49-57(29-39-69(75)71-43-37-67(53-77(71)89)96(85-45-33-61-15-7-11-21-81(61)92-85)86-46-34-62-16-8-12-22-82(62)93-86)25-27-59-31-41-73-74-42-32-60(52-80(74)91(79(73)51-59)55-65-19-5-6-20-66(65)56-91)28-26-58-30-40-70-72-44-38-68(54-78(72)90(3,4)76(70)50-58)97(87-47-35-63-17-9-13-23-83(63)94-87)88-48-36-64-18-10-14-24-84(64)95-88/h5-54H,55-56H2,1-4H3/b27-25+,28-26+
InChIKeyQZYLMVVDXBRNDX-NBHCHVEOSA-N
MW1243.57 g/mol
LogP22.84
Rot. Bonds10

About N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-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]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (PubChem CID 59246145) has the molecular formula C91H66N6 and a molecular weight of 1243.57 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]spiro[1,3-dihydroindene-2,9'-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]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
PubChem CID59246145
Molecular FormulaC91H66N6
Molecular Weight1243.57 g/mol
Exact Mass1242.53
IUPAC NameN-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8n7)c7ccc8ccccc8n7)ccc5-6)ccc3-4)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C91H66N6/c1-89(2)75-49-57(29-39-69(75)71-43-37-67(53-77(71)89)96(85-45-33-61-15-7-11-21-81(61)92-85)86-46-34-62-16-8-12-22-82(62)93-86)25-27-59-31-41-73-74-42-32-60(52-80(74)91(79(73)51-59)55-65-19-5-6-20-66(65)56-91)28-26-58-30-40-70-72-44-38-68(54-78(72)90(3,4)76(70)50-58)97(87-47-35-63-17-9-13-23-83(63)94-87)88-48-36-64-18-10-14-24-84(64)95-88/h5-54H,55-56H2,1-4H3/b27-25+,28-26+
InChIKeyQZYLMVVDXBRNDX-NBHCHVEOSA-N
XLogP22.84
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.57
LogP ≤ 522.84
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]spiro[1,3-dihydroindene-2,9'-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]spiro[1,3-dihydroindene-2,9'-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]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (CID 59246145) is N-[7-[(E)-2-[7'-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-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]spiro[1,3-dihydroindene-2,9'-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]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)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]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is QZYLMVVDXBRNDX-NBHCHVEOSA-N. The full InChI is InChI=1S/C91H66N6/c1-89(2)75-49-57(29-39-69(75)71-43-37-67(53-77(71)89)96(85-45-33-61-15-7-11-21-81(61)92-85)86-46-34-62-16-8-12-22-82(62)93-86)25-27-59-31-41-73-74-42-32-60(52-80(74)91(79(73)51-59)55-65-19-5-6-20-66(65)56-91)28-26-58-30-40-70-72-44-38-68(54-78(72)90(3,4)76(70)50-58)97(87-47-35-63-17-9-13-23-83(63)94-87)88-48-36-64-18-10-14-24-84(64)95-88/h5-54H,55-56H2,1-4H3/b27-25+,28-26+.
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]spiro[1,3-dihydroindene-2,9'-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]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 1243.57 g/mol, XLogP of 22.84, 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]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 59246145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).