N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine

C76H56N6 — CID 59246267

IUPACN-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc7ccccc7n6)c6ccc7ccccc7n6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C76H56N6/c1-75(2)63-45-51(29-37-59(63)61-39-35-57(47-65(61)75)81(71-41-31-53-13-5-9-17-67(53)77-71)72-42-32-54-14-6-10-18-68(54)78-72)27-25-49-21-23-50(24-22-49)26-28-52-30-38-60-62-40-36-58(48-66(62)76(3,4)64(60)46-52)82(73-43-33-55-15-7-11-19-69(55)79-73)74-44-34-56-16-8-12-20-70(56)80-74/h5-48H,1-4H3/b27-25+,28-26+
InChIKeyLSYIDUNPHPDQGD-NBHCHVEOSA-N
MW1053.33 g/mol
LogP19.77
Rot. Bonds10

About N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine

N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (PubChem CID 59246267) has the molecular formula C76H56N6 and a molecular weight of 1053.33 g/mol. Its IUPAC name is N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
PubChem CID59246267
Molecular FormulaC76H56N6
Molecular Weight1053.33 g/mol
Exact Mass1052.46
IUPAC NameN-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc7ccccc7n6)c6ccc7ccccc7n6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C76H56N6/c1-75(2)63-45-51(29-37-59(63)61-39-35-57(47-65(61)75)81(71-41-31-53-13-5-9-17-67(53)77-71)72-42-32-54-14-6-10-18-68(54)78-72)27-25-49-21-23-50(24-22-49)26-28-52-30-38-60-62-40-36-58(48-66(62)76(3,4)64(60)46-52)82(73-43-33-55-15-7-11-19-69(55)79-73)74-44-34-56-16-8-12-20-70(56)80-74/h5-48H,1-4H3/b27-25+,28-26+
InChIKeyLSYIDUNPHPDQGD-NBHCHVEOSA-N
XLogP19.77
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.33
LogP ≤ 519.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]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-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The IUPAC name of N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (CID 59246267) is N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine.
What is the SMILES notation for N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The canonical SMILES for N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc7ccccc7n6)c6ccc7ccccc7n6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21.
What is the InChIKey of N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is LSYIDUNPHPDQGD-NBHCHVEOSA-N. The full InChI is InChI=1S/C76H56N6/c1-75(2)63-45-51(29-37-59(63)61-39-35-57(47-65(61)75)81(71-41-31-53-13-5-9-17-67(53)77-71)72-42-32-54-14-6-10-18-68(54)78-72)27-25-49-21-23-50(24-22-49)26-28-52-30-38-60-62-40-36-58(48-66(62)76(3,4)64(60)46-52)82(73-43-33-55-15-7-11-19-69(55)79-73)74-44-34-56-16-8-12-20-70(56)80-74/h5-48H,1-4H3/b27-25+,28-26+.
What are the key properties of N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
N-[7-[(E)-2-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 1053.33 g/mol, XLogP of 19.77, 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-[4-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 59246267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).