7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine

C58H49NO2 — CID 89075111

IUPAC7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc21
InChIInChI=1S/C58H49NO2/c1-5-57(6-2)54-38-40(25-36-49(54)50-37-31-46(39-55(50)57)59(44-27-32-47(60-3)33-28-44)45-29-34-48(61-4)35-30-45)24-26-41-16-15-23-53-56(41)51-21-13-14-22-52(51)58(53,42-17-9-7-10-18-42)43-19-11-8-12-20-43/h7-39H,5-6H2,1-4H3/b26-24+
InChIKeyAGSNWDQNEJNJPQ-SHHOIMCASA-N
MW792.04 g/mol
LogP14.79
Rot. Bonds11

About 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine (PubChem CID 89075111) has the molecular formula C58H49NO2 and a molecular weight of 792.04 g/mol. Its IUPAC name is 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
PubChem CID89075111
Molecular FormulaC58H49NO2
Molecular Weight792.04 g/mol
Exact Mass791.38
IUPAC Name7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc21
InChIInChI=1S/C58H49NO2/c1-5-57(6-2)54-38-40(25-36-49(54)50-37-31-46(39-55(50)57)59(44-27-32-47(60-3)33-28-44)45-29-34-48(61-4)35-30-45)24-26-41-16-15-23-53-56(41)51-21-13-14-22-52(51)58(53,42-17-9-7-10-18-42)43-19-11-8-12-20-43/h7-39H,5-6H2,1-4H3/b26-24+
InChIKeyAGSNWDQNEJNJPQ-SHHOIMCASA-N
XLogP14.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074925
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
CID 89066758
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine
CID 89066792
N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
CID 121423384
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
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 89067123
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127
9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
CID 91243704
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 89066743

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine?
The IUPAC name of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine (CID 89075111) is 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine?
The canonical SMILES for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc21.
What is the InChIKey of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine?
The InChIKey is AGSNWDQNEJNJPQ-SHHOIMCASA-N. The full InChI is InChI=1S/C58H49NO2/c1-5-57(6-2)54-38-40(25-36-49(54)50-37-31-46(39-55(50)57)59(44-27-32-47(60-3)33-28-44)45-29-34-48(61-4)35-30-45)24-26-41-16-15-23-53-56(41)51-21-13-14-22-52(51)58(53,42-17-9-7-10-18-42)43-19-11-8-12-20-43/h7-39H,5-6H2,1-4H3/b26-24+.
What are the key properties of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine?
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine has a molecular weight of 792.04 g/mol, XLogP of 14.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine is sourced from PubChem (CID 89075111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).