7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

C51H45N — CID 91004917

IUPAC7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)c(C)c4C)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C51H45N/c1-5-51(6-2)49-34-39(23-22-38-24-27-41(28-25-38)46-33-32-45(36(3)37(46)4)40-16-10-7-11-17-40)26-30-47(49)48-31-29-44(35-50(48)51)52(42-18-12-8-13-19-42)43-20-14-9-15-21-43/h7-35H,5-6H2,1-4H3
InChIKeyAUWJWQPNVFSBGX-UHFFFAOYSA-N
MW671.93 g/mol
LogP14.36
Rot. Bonds9

About 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (PubChem CID 91004917) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
PubChem CID91004917
Molecular FormulaC51H45N
Molecular Weight671.93 g/mol
Exact Mass671.36
IUPAC Name7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)c(C)c4C)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C51H45N/c1-5-51(6-2)49-34-39(23-22-38-24-27-41(28-25-38)46-33-32-45(36(3)37(46)4)40-16-10-7-11-17-40)26-30-47(49)48-31-29-44(35-50(48)51)52(42-18-12-8-13-19-42)43-20-14-9-15-21-43/h7-35H,5-6H2,1-4H3
InChIKeyAUWJWQPNVFSBGX-UHFFFAOYSA-N
XLogP14.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.93
LogP ≤ 514.36
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-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89074843
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
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
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-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
CID 91243704
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
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine
CID 89075145
9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074909
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 89074836

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (CID 91004917) is 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)c(C)c4C)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The InChIKey is AUWJWQPNVFSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-5-51(6-2)49-34-39(23-22-38-24-27-41(28-25-38)46-33-32-45(36(3)37(46)4)40-16-10-7-11-17-40)26-30-47(49)48-31-29-44(35-50(48)51)52(42-18-12-8-13-19-42)43-20-14-9-15-21-43/h7-35H,5-6H2,1-4H3.
What are the key properties of 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 671.93 g/mol, XLogP of 14.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 91004917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).