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

C50H43N — CID 89067087

IUPAC9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(C)cc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C50H43N/c1-4-50(5-2)48-34-38(23-22-37-24-27-40(28-25-37)44-30-21-36(3)33-47(44)39-15-9-6-10-16-39)26-31-45(48)46-32-29-43(35-49(46)50)51(41-17-11-7-12-18-41)42-19-13-8-14-20-42/h6-35H,4-5H2,1-3H3/b23-22+
InChIKeyBXLGOCWONVTNLX-GHVJWSGMSA-N
MW657.90 g/mol
LogP14.06
Rot. Bonds9

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

9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (PubChem CID 89067087) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
PubChem CID89067087
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC Name9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(C)cc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C50H43N/c1-4-50(5-2)48-34-38(23-22-37-24-27-40(28-25-37)44-30-21-36(3)33-47(44)39-15-9-6-10-16-39)26-31-45(48)46-32-29-43(35-49(46)50)51(41-17-11-7-12-18-41)42-19-13-8-14-20-42/h6-35H,4-5H2,1-3H3/b23-22+
InChIKeyBXLGOCWONVTNLX-GHVJWSGMSA-N
XLogP14.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 514.06
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-[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-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
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-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068180
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639
9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-4-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074968
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine
CID 89075145

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The IUPAC name of 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (CID 89067087) is 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4ccc(C)cc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
The InChIKey is BXLGOCWONVTNLX-GHVJWSGMSA-N. The full InChI is InChI=1S/C50H43N/c1-4-50(5-2)48-34-38(23-22-37-24-27-40(28-25-37)44-30-21-36(3)33-47(44)39-15-9-6-10-16-39)26-31-45(48)46-32-29-43(35-49(46)50)51(41-17-11-7-12-18-41)42-19-13-8-14-20-42/h6-35H,4-5H2,1-3H3/b23-22+.
What are the key properties of 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine has a molecular weight of 657.90 g/mol, XLogP of 14.06, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89067087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).