9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

C61H48N2O — CID 89074968

IUPAC9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C61H48N2O/c1-3-61(4-2)54-40-44(32-37-52(54)53-39-36-50(42-55(53)61)62(48-20-10-6-11-21-48)49-22-12-7-13-23-49)29-28-43-30-33-46(34-31-43)51-38-35-47(45-18-8-5-9-19-45)41-58(51)63-56-24-14-16-26-59(56)64-60-27-17-15-25-57(60)63/h5-42H,3-4H2,1-2H3/b29-28+
InChIKeyJZEKOGVYHBTZCN-ZQHSETAFSA-N
MW825.07 g/mol
LogP17.32
Rot. Bonds10

About 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (PubChem CID 89074968) has the molecular formula C61H48N2O and a molecular weight of 825.07 g/mol. Its IUPAC name is 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
PubChem CID89074968
Molecular FormulaC61H48N2O
Molecular Weight825.07 g/mol
Exact Mass824.38
IUPAC Name9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C61H48N2O/c1-3-61(4-2)54-40-44(32-37-52(54)53-39-36-50(42-55(53)61)62(48-20-10-6-11-21-48)49-22-12-7-13-23-49)29-28-43-30-33-46(34-31-43)51-38-35-47(45-18-8-5-9-19-45)41-58(51)63-56-24-14-16-26-59(56)64-60-27-17-15-25-57(60)63/h5-42H,3-4H2,1-2H3/b29-28+
InChIKeyJZEKOGVYHBTZCN-ZQHSETAFSA-N
XLogP17.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 517.32
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

9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074909
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-[(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
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-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
CID 91243704
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine
CID 89075145
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639
7-[(E)-2-[4-[2-(2,3-dihydro-1,3-benzothiazol-2-yl)-5-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89074978

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The IUPAC name of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (CID 89074968) is 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The InChIKey is JZEKOGVYHBTZCN-ZQHSETAFSA-N. The full InChI is InChI=1S/C61H48N2O/c1-3-61(4-2)54-40-44(32-37-52(54)53-39-36-50(42-55(53)61)62(48-20-10-6-11-21-48)49-22-12-7-13-23-49)29-28-43-30-33-46(34-31-43)51-38-35-47(45-18-8-5-9-19-45)41-58(51)63-56-24-14-16-26-59(56)64-60-27-17-15-25-57(60)63/h5-42H,3-4H2,1-2H3/b29-28+.
What are the key properties of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine has a molecular weight of 825.07 g/mol, XLogP of 17.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89074968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).