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

C85H64N6 — CID 59246135

IUPACN-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)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/C85H64N6/c1-83(2)69-47-53(23-25-55-29-39-65-67-41-35-61(51-73(67)84(3,4)71(65)49-55)90(79-43-31-57-15-7-11-19-75(57)86-79)80-44-32-58-16-8-12-20-76(58)87-80)27-37-63(69)64-38-28-54(48-70(64)83)24-26-56-30-40-66-68-42-36-62(52-74(68)85(5,6)72(66)50-56)91(81-45-33-59-17-9-13-21-77(59)88-81)82-46-34-60-18-10-14-22-78(60)89-82/h7-52H,1-6H3/b25-23+,26-24+
InChIKeyAAGIMPNCSBPEDE-OGGGYYITSA-N
MW1169.49 g/mol
LogP22.08
Rot. Bonds10

About N-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-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-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (PubChem CID 59246135) has the molecular formula C85H64N6 and a molecular weight of 1169.49 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-dimethylfluoren-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-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
PubChem CID59246135
Molecular FormulaC85H64N6
Molecular Weight1169.49 g/mol
Exact Mass1168.52
IUPAC NameN-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)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/C85H64N6/c1-83(2)69-47-53(23-25-55-29-39-65-67-41-35-61(51-73(67)84(3,4)71(65)49-55)90(79-43-31-57-15-7-11-19-75(57)86-79)80-44-32-58-16-8-12-20-76(58)87-80)27-37-63(69)64-38-28-54(48-70(64)83)24-26-56-30-40-66-68-42-36-62(52-74(68)85(5,6)72(66)50-56)91(81-45-33-59-17-9-13-21-77(59)88-81)82-46-34-60-18-10-14-22-78(60)89-82/h7-52H,1-6H3/b25-23+,26-24+
InChIKeyAAGIMPNCSBPEDE-OGGGYYITSA-N
XLogP22.08
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.49
LogP ≤ 522.08
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-dimethylfluoren-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-dimethylfluoren-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-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (CID 59246135) is N-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-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-dimethylfluoren-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-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is CC1(C)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-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is AAGIMPNCSBPEDE-OGGGYYITSA-N. The full InChI is InChI=1S/C85H64N6/c1-83(2)69-47-53(23-25-55-29-39-65-67-41-35-61(51-73(67)84(3,4)71(65)49-55)90(79-43-31-57-15-7-11-19-75(57)86-79)80-44-32-58-16-8-12-20-76(58)87-80)27-37-63(69)64-38-28-54(48-70(64)83)24-26-56-30-40-66-68-42-36-62(52-74(68)85(5,6)72(66)50-56)91(81-45-33-59-17-9-13-21-77(59)88-81)82-46-34-60-18-10-14-22-78(60)89-82/h7-52H,1-6H3/b25-23+,26-24+.
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-dimethylfluoren-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-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 1169.49 g/mol, XLogP of 22.08, 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-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 59246135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).