7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine

C68H53N — CID 91193814

IUPAC7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
SMILESCCC1(CC)c2cc(C=Cc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21
InChIInChI=1S/C68H53N/c1-3-67(4-2)64-45-48(37-39-51-27-22-36-63-66(51)60-34-20-21-35-62(60)68(63,52-28-14-7-15-29-52)53-30-16-8-17-31-53)38-42-58(64)59-44-41-56(47-65(59)67)69(54-32-18-9-19-33-54)55-40-43-57(49-23-10-5-11-24-49)61(46-55)50-25-12-6-13-26-50/h5-47H,3-4H2,1-2H3
InChIKeyXMBMUZITODQLHV-UHFFFAOYSA-N
MW884.18 g/mol
LogP18.11
Rot. Bonds11

About 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine

7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine (PubChem CID 91193814) has the molecular formula C68H53N and a molecular weight of 884.18 g/mol. Its IUPAC name is 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
PubChem CID91193814
Molecular FormulaC68H53N
Molecular Weight884.18 g/mol
Exact Mass883.42
IUPAC Name7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
SMILESCCC1(CC)c2cc(C=Cc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21
InChIInChI=1S/C68H53N/c1-3-67(4-2)64-45-48(37-39-51-27-22-36-63-66(51)60-34-20-21-35-62(60)68(63,52-28-14-7-15-29-52)53-30-16-8-17-31-53)38-42-58(64)59-44-41-56(47-65(59)67)69(54-32-18-9-19-33-54)55-40-43-57(49-23-10-5-11-24-49)61(46-55)50-25-12-6-13-26-50/h5-47H,3-4H2,1-2H3
InChIKeyXMBMUZITODQLHV-UHFFFAOYSA-N
XLogP18.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.18
LogP ≤ 518.11
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-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074925
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111
N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
CID 89066758
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine
CID 89066792
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-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 89067123
7-[(E)-2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89074843
7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91004917
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127

Frequently Asked Questions

What is the IUPAC name of 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine?
The IUPAC name of 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine (CID 91193814) is 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine?
The canonical SMILES for 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine is CCC1(CC)c2cc(C=Cc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc21.
What is the InChIKey of 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine?
The InChIKey is XMBMUZITODQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53N/c1-3-67(4-2)64-45-48(37-39-51-27-22-36-63-66(51)60-34-20-21-35-62(60)68(63,52-28-14-7-15-29-52)53-30-16-8-17-31-53)38-42-58(64)59-44-41-56(47-65(59)67)69(54-32-18-9-19-33-54)55-40-43-57(49-23-10-5-11-24-49)61(46-55)50-25-12-6-13-26-50/h5-47H,3-4H2,1-2H3.
What are the key properties of 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine?
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine has a molecular weight of 884.18 g/mol, XLogP of 18.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 91193814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).