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

C60H53N — CID 89066743

IUPAC7-[(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
SMILESCCC1(CC)C2=C(CCC(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)=C2)c2ccc(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C60H53N/c1-3-59(4-2)56-39-42(31-33-44-21-18-30-55-58(44)53-28-16-17-29-54(53)60(55,46-22-8-5-9-23-46)47-24-10-6-11-25-47)32-37-51(56)52-38-36-50(41-57(52)59)61(48-26-12-7-13-27-48)49-35-34-43-19-14-15-20-45(43)40-49/h5-13,16-18,21-31,33-36,38-41H,3-4,14-15,19-20,32,37H2,1-2H3/b33-31+
InChIKeyFQTVBGQNBJDHTK-QOSDPKFLSA-N
MW788.09 g/mol
LogP15.66
Rot. Bonds9

About 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

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 (PubChem CID 89066743) has the molecular formula C60H53N and a molecular weight of 788.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID89066743
Molecular FormulaC60H53N
Molecular Weight788.09 g/mol
Exact Mass787.42
IUPAC Name7-[(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
SMILESCCC1(CC)C2=C(CCC(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)=C2)c2ccc(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C60H53N/c1-3-59(4-2)56-39-42(31-33-44-21-18-30-55-58(44)53-28-16-17-29-54(53)60(55,46-22-8-5-9-23-46)47-24-10-6-11-25-47)32-37-51(56)52-38-36-50(41-57(52)59)61(48-26-12-7-13-27-48)49-35-34-43-19-14-15-20-45(43)40-49/h5-13,16-18,21-31,33-36,38-41H,3-4,14-15,19-20,32,37H2,1-2H3/b33-31+
InChIKeyFQTVBGQNBJDHTK-QOSDPKFLSA-N
XLogP15.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.09
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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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
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
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-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine
CID 89067020
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111
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
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-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 89067123
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89189714
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(CC)C2=C(CCC(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)=C2)c2ccc(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21.
What is the InChIKey of 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?
The InChIKey is FQTVBGQNBJDHTK-QOSDPKFLSA-N. The full InChI is InChI=1S/C60H53N/c1-3-59(4-2)56-39-42(31-33-44-21-18-30-55-58(44)53-28-16-17-29-54(53)60(55,46-22-8-5-9-23-46)47-24-10-6-11-25-47)32-37-51(56)52-38-36-50(41-57(52)59)61(48-26-12-7-13-27-48)49-35-34-43-19-14-15-20-45(43)40-49/h5-13,16-18,21-31,33-36,38-41H,3-4,14-15,19-20,32,37H2,1-2H3/b33-31+.
What are the key properties of 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?
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 has a molecular weight of 788.09 g/mol, XLogP of 15.66, 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-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine is sourced from PubChem (CID 89066743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).