7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

C58H49N — CID 89074925

IUPAC7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21
InChIInChI=1S/C58H49N/c1-5-57(6-2)54-38-42(29-36-49(54)50-37-35-48(39-55(50)57)59(46-31-24-40(3)25-32-46)47-33-26-41(4)27-34-47)28-30-43-16-15-23-53-56(43)51-21-13-14-22-52(51)58(53,44-17-9-7-10-18-44)45-19-11-8-12-20-45/h7-39H,5-6H2,1-4H3/b30-28+
InChIKeyNRCDAUPAKDVEOV-SJCQXOIGSA-N
MW760.04 g/mol
LogP15.39
Rot. Bonds9

About 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (PubChem CID 89074925) has the molecular formula C58H49N and a molecular weight of 760.04 g/mol. Its IUPAC name is 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
PubChem CID89074925
Molecular FormulaC58H49N
Molecular Weight760.04 g/mol
Exact Mass759.39
IUPAC Name7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21
InChIInChI=1S/C58H49N/c1-5-57(6-2)54-38-42(29-36-49(54)50-37-35-48(39-55(50)57)59(46-31-24-40(3)25-32-46)47-33-26-41(4)27-34-47)28-30-43-16-15-23-53-56(43)51-21-13-14-22-52(51)58(53,44-17-9-7-10-18-44)45-19-11-8-12-20-45/h7-39H,5-6H2,1-4H3/b30-28+
InChIKeyNRCDAUPAKDVEOV-SJCQXOIGSA-N
XLogP15.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.04
LogP ≤ 515.39
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

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
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
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-(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-[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
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 89066743

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
The IUPAC name of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (CID 89074925) is 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21.
What is the InChIKey of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
The InChIKey is NRCDAUPAKDVEOV-SJCQXOIGSA-N. The full InChI is InChI=1S/C58H49N/c1-5-57(6-2)54-38-42(29-36-49(54)50-37-35-48(39-55(50)57)59(46-31-24-40(3)25-32-46)47-33-26-41(4)27-34-47)28-30-43-16-15-23-53-56(43)51-21-13-14-22-52(51)58(53,44-17-9-7-10-18-44)45-19-11-8-12-20-45/h7-39H,5-6H2,1-4H3/b30-28+.
What are the key properties of 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine has a molecular weight of 760.04 g/mol, XLogP of 15.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 89074925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).