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

C87H68N6 — CID 59246489

IUPACN-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6n5)c5ccc6ccccc6n5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6n5)c5ccc6ccccc6n5)ccc3-4)cc21
InChIInChI=1S/C87H68N6/c1-7-87(8-2)75-51-57(27-25-55-29-39-65-67-43-37-63(53-73(67)85(3,4)71(65)49-55)92(81-45-33-59-17-9-13-21-77(59)88-81)82-46-34-60-18-10-14-22-78(60)89-82)31-41-69(75)70-42-32-58(52-76(70)87)28-26-56-30-40-66-68-44-38-64(54-74(68)86(5,6)72(66)50-56)93(83-47-35-61-19-11-15-23-79(61)90-83)84-48-36-62-20-12-16-24-80(62)91-84/h9-54H,7-8H2,1-6H3/b27-25+,28-26+
InChIKeyUOQSFLHRBQFGFY-NBHCHVEOSA-N
MW1197.54 g/mol
LogP22.86
Rot. Bonds12

About N-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-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-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (PubChem CID 59246489) has the molecular formula C87H68N6 and a molecular weight of 1197.54 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-diethylfluoren-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-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
PubChem CID59246489
Molecular FormulaC87H68N6
Molecular Weight1197.54 g/mol
Exact Mass1196.55
IUPAC NameN-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6n5)c5ccc6ccccc6n5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6n5)c5ccc6ccccc6n5)ccc3-4)cc21
InChIInChI=1S/C87H68N6/c1-7-87(8-2)75-51-57(27-25-55-29-39-65-67-43-37-63(53-73(67)85(3,4)71(65)49-55)92(81-45-33-59-17-9-13-21-77(59)88-81)82-46-34-60-18-10-14-22-78(60)89-82)31-41-69(75)70-42-32-58(52-76(70)87)28-26-56-30-40-66-68-44-38-64(54-74(68)86(5,6)72(66)50-56)93(83-47-35-61-19-11-15-23-79(61)90-83)84-48-36-62-20-12-16-24-80(62)91-84/h9-54H,7-8H2,1-6H3/b27-25+,28-26+
InChIKeyUOQSFLHRBQFGFY-NBHCHVEOSA-N
XLogP22.86
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.54
LogP ≤ 522.86
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-diethylfluoren-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-diethylfluoren-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-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (CID 59246489) is N-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-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-diethylfluoren-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-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is CCC1(CC)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6n5)c5ccc6ccccc6n5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6n5)c5ccc6ccccc6n5)ccc3-4)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-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is UOQSFLHRBQFGFY-NBHCHVEOSA-N. The full InChI is InChI=1S/C87H68N6/c1-7-87(8-2)75-51-57(27-25-55-29-39-65-67-43-37-63(53-73(67)85(3,4)71(65)49-55)92(81-45-33-59-17-9-13-21-77(59)88-81)82-46-34-60-18-10-14-22-78(60)89-82)31-41-69(75)70-42-32-58(52-76(70)87)28-26-56-30-40-66-68-44-38-64(54-74(68)86(5,6)72(66)50-56)93(83-47-35-61-19-11-15-23-79(61)90-83)84-48-36-62-20-12-16-24-80(62)91-84/h9-54H,7-8H2,1-6H3/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]-9,9-diethylfluoren-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-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 1197.54 g/mol, XLogP of 22.86, 12 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-diethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 59246489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).