N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C56H48N2 — CID 89189714

IUPACN-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)C2=C(CCC(/C=C/c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)=C2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C56H48N2/c1-55(2)51-23-15-14-22-47(51)49-34-31-46(37-53(49)55)58(43-20-12-7-13-21-43)44-29-26-39(27-30-44)24-25-40-28-33-48-50-35-32-45(38-54(50)56(3,4)52(48)36-40)57(41-16-8-5-9-17-41)42-18-10-6-11-19-42/h5-27,29-32,34-38H,28,33H2,1-4H3/b25-24+
InChIKeyDLZNZBMEZLOBHF-OCOZRVBESA-N
MW749.01 g/mol
LogP15.41
Rot. Bonds8

About N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 89189714) has the molecular formula C56H48N2 and a molecular weight of 749.01 g/mol. Its IUPAC name is N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID89189714
Molecular FormulaC56H48N2
Molecular Weight749.01 g/mol
Exact Mass748.38
IUPAC NameN-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)C2=C(CCC(/C=C/c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)=C2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C56H48N2/c1-55(2)51-23-15-14-22-47(51)49-34-31-46(37-53(49)55)58(43-20-12-7-13-21-43)44-29-26-39(27-30-44)24-25-40-28-33-48-50-35-32-45(38-54(50)56(3,4)52(48)36-40)57(41-16-8-5-9-17-41)42-18-10-6-11-19-42/h5-27,29-32,34-38H,28,33H2,1-4H3/b25-24+
InChIKeyDLZNZBMEZLOBHF-OCOZRVBESA-N
XLogP15.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.01
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
9,9-dimethyl-2-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]-7-N-[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(2-phenylethenyl)anilino]phenyl]phenyl]-4-N-[4-(2-phenylethenyl)phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159986160
N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 91399665
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067791
9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883902
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
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of 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) is N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)C2=C(CCC(/C=C/c3ccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)=C2)c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is DLZNZBMEZLOBHF-OCOZRVBESA-N. The full InChI is InChI=1S/C56H48N2/c1-55(2)51-23-15-14-22-47(51)49-34-31-46(37-53(49)55)58(43-20-12-7-13-21-43)44-29-26-39(27-30-44)24-25-40-28-33-48-50-35-32-45(38-54(50)56(3,4)52(48)36-40)57(41-16-8-5-9-17-41)42-18-10-6-11-19-42/h5-27,29-32,34-38H,28,33H2,1-4H3/b25-24+.
What are the key properties of N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 749.01 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 89189714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).