9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine

C54H50N2 — CID 89075145

IUPAC9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4N4CCCCC4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H50N2/c1-3-54(4-2)50-38-41(30-34-48(50)49-35-33-46(39-51(49)54)56(44-20-11-6-12-21-44)45-22-13-7-14-23-45)27-26-40-28-31-43(32-29-40)53-47(42-18-9-5-10-19-42)24-17-25-52(53)55-36-15-8-16-37-55/h5-7,9-14,17-35,38-39H,3-4,8,15-16,36-37H2,1-2H3/b27-26+
InChIKeyIOAJHKLTJZCJLK-CYYJNZCTSA-N
MW727.01 g/mol
LogP14.74
Rot. Bonds10

About 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine

9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine (PubChem CID 89075145) has the molecular formula C54H50N2 and a molecular weight of 727.01 g/mol. Its IUPAC name is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine
PubChem CID89075145
Molecular FormulaC54H50N2
Molecular Weight727.01 g/mol
Exact Mass726.40
IUPAC Name9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4N4CCCCC4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H50N2/c1-3-54(4-2)50-38-41(30-34-48(50)49-35-33-46(39-51(49)54)56(44-20-11-6-12-21-44)45-22-13-7-14-23-45)27-26-40-28-31-43(32-29-40)53-47(42-18-9-5-10-19-42)24-17-25-52(53)55-36-15-8-16-37-55/h5-7,9-14,17-35,38-39H,3-4,8,15-16,36-37H2,1-2H3/b27-26+
InChIKeyIOAJHKLTJZCJLK-CYYJNZCTSA-N
XLogP14.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.01
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074909
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91004917
7-[(E)-2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89074843
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine
CID 89066820
9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074968
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89067107
9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
CID 91243704
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine?
The IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine (CID 89075145) is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4N4CCCCC4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine?
The InChIKey is IOAJHKLTJZCJLK-CYYJNZCTSA-N. The full InChI is InChI=1S/C54H50N2/c1-3-54(4-2)50-38-41(30-34-48(50)49-35-33-46(39-51(49)54)56(44-20-11-6-12-21-44)45-22-13-7-14-23-45)27-26-40-28-31-43(32-29-40)53-47(42-18-9-5-10-19-42)24-17-25-52(53)55-36-15-8-16-37-55/h5-7,9-14,17-35,38-39H,3-4,8,15-16,36-37H2,1-2H3/b27-26+.
What are the key properties of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine?
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine has a molecular weight of 727.01 g/mol, XLogP of 14.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).