9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine

C53H43N — CID 91243704

IUPAC9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
SMILESCCC1(CC)c2cc(C=Cc3cc4ccccc4cc3-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C53H43N/c1-3-53(4-2)51-34-38(25-32-48(51)49-33-31-47(37-52(49)53)54(45-20-10-6-11-21-45)46-22-12-7-13-23-46)24-26-44-35-42-18-14-15-19-43(42)36-50(44)41-29-27-40(28-30-41)39-16-8-5-9-17-39/h5-37H,3-4H2,1-2H3
InChIKeySCKAOJRXPKOIOM-UHFFFAOYSA-N
MW693.93 g/mol
LogP14.90
Rot. Bonds9

About 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine

9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine (PubChem CID 91243704) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
PubChem CID91243704
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC Name9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
SMILESCCC1(CC)c2cc(C=Cc3cc4ccccc4cc3-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C53H43N/c1-3-53(4-2)51-34-38(25-32-48(51)49-33-31-47(37-52(49)53)54(45-20-10-6-11-21-45)46-22-12-7-13-23-46)24-26-44-35-42-18-14-15-19-43(42)36-50(44)41-29-27-40(28-30-41)39-16-8-5-9-17-39/h5-37H,3-4H2,1-2H3
InChIKeySCKAOJRXPKOIOM-UHFFFAOYSA-N
XLogP14.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
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-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067263
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
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-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 91405868
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 89074836
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074968

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine?
The IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine (CID 91243704) is 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine is CCC1(CC)c2cc(C=Cc3cc4ccccc4cc3-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine?
The InChIKey is SCKAOJRXPKOIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-3-53(4-2)51-34-38(25-32-48(51)49-33-31-47(37-52(49)53)54(45-20-10-6-11-21-45)46-22-12-7-13-23-46)24-26-44-35-42-18-14-15-19-43(42)36-50(44)41-29-27-40(28-30-41)39-16-8-5-9-17-39/h5-37H,3-4H2,1-2H3.
What are the key properties of 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine?
9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine has a molecular weight of 693.93 g/mol, XLogP of 14.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 91243704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).