7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C56H50N2 — CID 89178599

IUPAC7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)C3C=CC=CC3)CC=C2c2ccccc21
InChIInChI=1S/C56H50N2/c1-55(2)51-23-15-14-22-47(51)49-34-31-46(37-53(49)55)58(43-20-12-7-13-21-43)44-29-26-39(27-30-44)24-25-40-28-33-48-50-35-32-45(38-54(50)56(3,4)52(48)36-40)57(41-16-8-5-9-17-41)42-18-10-6-11-19-42/h5-20,22-30,32-38,43,46H,21,31H2,1-4H3/b25-24+
InChIKeyVQQYADFZSLBHDL-OCOZRVBESA-N
MW751.03 g/mol
LogP14.40
Rot. Bonds8

About 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 89178599) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
PubChem CID89178599
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC Name7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)C3C=CC=CC3)CC=C2c2ccccc21
InChIInChI=1S/C56H50N2/c1-55(2)51-23-15-14-22-47(51)49-34-31-46(37-53(49)55)58(43-20-12-7-13-21-43)44-29-26-39(27-30-44)24-25-40-28-33-48-50-35-32-45(38-54(50)56(3,4)52(48)36-40)57(41-16-8-5-9-17-41)42-18-10-6-11-19-42/h5-20,22-30,32-38,43,46H,21,31H2,1-4H3/b25-24+
InChIKeyVQQYADFZSLBHDL-OCOZRVBESA-N
XLogP14.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.03
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
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
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(2-phenylphenyl)anilino)-2,3-dihydrofluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-(2-phenylphenyl)fluoren-2-amine
CID 89087928
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine
CID 129095683
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067791

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 89178599) is 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is CC1(C)C2=CC(N(c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)cc3)C3C=CC=CC3)CC=C2c2ccccc21.
What is the InChIKey of 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The InChIKey is VQQYADFZSLBHDL-OCOZRVBESA-N. The full InChI is InChI=1S/C56H50N2/c1-55(2)51-23-15-14-22-47(51)49-34-31-46(37-53(49)55)58(43-20-12-7-13-21-43)44-29-26-39(27-30-44)24-25-40-28-33-48-50-35-32-45(38-54(50)56(3,4)52(48)36-40)57(41-16-8-5-9-17-41)42-18-10-6-11-19-42/h5-20,22-30,32-38,43,46H,21,31H2,1-4H3/b25-24+.
What are the key properties of 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 751.03 g/mol, XLogP of 14.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89178599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).