9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine

C52H50N2Si — CID 58444639

IUPAC9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)cc21
InChIInChI=1S/C52H50N2Si/c1-6-52(7-2)50-37-40(24-23-39-25-28-44(29-26-39)53(41-17-11-8-12-18-41)42-19-13-9-14-20-42)27-35-48(50)49-36-32-46(38-51(49)52)54(43-21-15-10-16-22-43)45-30-33-47(34-31-45)55(3,4)5/h8-38H,6-7H2,1-5H3/b24-23+
InChIKeyMUHIPVNGGWGUBR-WCWDXBQESA-N
MW731.07 g/mol
LogP14.43
Rot. Bonds11

About 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine

9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine (PubChem CID 58444639) has the molecular formula C52H50N2Si and a molecular weight of 731.07 g/mol. Its IUPAC name is 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
PubChem CID58444639
Molecular FormulaC52H50N2Si
Molecular Weight731.07 g/mol
Exact Mass730.37
IUPAC Name9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)cc21
InChIInChI=1S/C52H50N2Si/c1-6-52(7-2)50-37-40(24-23-39-25-28-44(29-26-39)53(41-17-11-8-12-18-41)42-19-13-9-14-20-42)27-35-48(50)49-36-32-46(38-51(49)52)54(43-21-15-10-16-22-43)45-30-33-47(34-31-45)55(3,4)5/h8-38H,6-7H2,1-5H3/b24-23+
InChIKeyMUHIPVNGGWGUBR-WCWDXBQESA-N
XLogP14.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.07
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
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
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
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-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074968
9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 101407197
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine (CID 58444639) is 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)cc21.
What is the InChIKey of 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine?
The InChIKey is MUHIPVNGGWGUBR-WCWDXBQESA-N. The full InChI is InChI=1S/C52H50N2Si/c1-6-52(7-2)50-37-40(24-23-39-25-28-44(29-26-39)53(41-17-11-8-12-18-41)42-19-13-9-14-20-42)27-35-48(50)49-36-32-46(38-51(49)52)54(43-21-15-10-16-22-43)45-30-33-47(34-31-45)55(3,4)5/h8-38H,6-7H2,1-5H3/b24-23+.
What are the key properties of 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine?
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine has a molecular weight of 731.07 g/mol, XLogP of 14.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine is sourced from PubChem (CID 58444639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).