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

C95H68N6 — CID 59246552

IUPACN-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8n7)c7ccc8ccccc8n7)ccc5-6)ccc3-4)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C95H68N6/c1-93(2)79-55-61(35-45-73(79)75-49-43-71(59-81(75)93)100(89-51-39-65-19-11-15-27-85(65)96-89)90-52-40-66-20-12-16-28-86(66)97-90)31-33-63-37-47-77-78-48-38-64(58-84(78)95(83(77)57-63,69-23-7-5-8-24-69)70-25-9-6-10-26-70)34-32-62-36-46-74-76-50-44-72(60-82(76)94(3,4)80(74)56-62)101(91-53-41-67-21-13-17-29-87(67)98-91)92-54-42-68-22-14-18-30-88(68)99-92/h5-60H,1-4H3/b33-31+,34-32+
InChIKeyHSWFRUSGJLWTQJ-FMWAKIAMSA-N
MW1293.63 g/mol
LogP24.14
Rot. Bonds12

About N-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diphenylfluoren-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-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (PubChem CID 59246552) has the molecular formula C95H68N6 and a molecular weight of 1293.63 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-diphenylfluoren-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-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
PubChem CID59246552
Molecular FormulaC95H68N6
Molecular Weight1293.63 g/mol
Exact Mass1292.55
IUPAC NameN-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8n7)c7ccc8ccccc8n7)ccc5-6)ccc3-4)ccc2-c2ccc(N(c3ccc4ccccc4n3)c3ccc4ccccc4n3)cc21
InChIInChI=1S/C95H68N6/c1-93(2)79-55-61(35-45-73(79)75-49-43-71(59-81(75)93)100(89-51-39-65-19-11-15-27-85(65)96-89)90-52-40-66-20-12-16-28-86(66)97-90)31-33-63-37-47-77-78-48-38-64(58-84(78)95(83(77)57-63,69-23-7-5-8-24-69)70-25-9-6-10-26-70)34-32-62-36-46-74-76-50-44-72(60-82(76)94(3,4)80(74)56-62)101(91-53-41-67-21-13-17-29-87(67)98-91)92-54-42-68-22-14-18-30-88(68)99-92/h5-60H,1-4H3/b33-31+,34-32+
InChIKeyHSWFRUSGJLWTQJ-FMWAKIAMSA-N
XLogP24.14
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001293.63
LogP ≤ 524.14
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-diphenylfluoren-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-diphenylfluoren-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-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine (CID 59246552) is N-[7-[(E)-2-[7-[(E)-2-[7-[di(quinolin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-diphenylfluoren-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-diphenylfluoren-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-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)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-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is HSWFRUSGJLWTQJ-FMWAKIAMSA-N. The full InChI is InChI=1S/C95H68N6/c1-93(2)79-55-61(35-45-73(79)75-49-43-71(59-81(75)93)100(89-51-39-65-19-11-15-27-85(65)96-89)90-52-40-66-20-12-16-28-86(66)97-90)31-33-63-37-47-77-78-48-38-64(58-84(78)95(83(77)57-63,69-23-7-5-8-24-69)70-25-9-6-10-26-70)34-32-62-36-46-74-76-50-44-72(60-82(76)94(3,4)80(74)56-62)101(91-53-41-67-21-13-17-29-87(67)98-91)92-54-42-68-22-14-18-30-88(68)99-92/h5-60H,1-4H3/b33-31+,34-32+.
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-diphenylfluoren-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-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 1293.63 g/mol, XLogP of 24.14, 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-diphenylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 59246552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).