9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

C40H35N3 — CID 158459362

IUPAC9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCC1(CCN)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C40H35N3/c1-40(26-27-41)38-28-34(42(30-14-6-2-7-15-30)31-16-8-3-9-17-31)22-24-36(38)37-25-23-35(29-39(37)40)43(32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25,28-29H,26-27,41H2,1H3
InChIKeyQCWWKFOTXIXMEI-UHFFFAOYSA-N
MW557.74 g/mol
LogP10.26
Rot. Bonds8

About 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (PubChem CID 158459362) has the molecular formula C40H35N3 and a molecular weight of 557.74 g/mol. Its IUPAC name is 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
PubChem CID158459362
Molecular FormulaC40H35N3
Molecular Weight557.74 g/mol
Exact Mass557.28
IUPAC Name9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCC1(CCN)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C40H35N3/c1-40(26-27-41)38-28-34(42(30-14-6-2-7-15-30)31-16-8-3-9-17-31)22-24-36(38)37-25-23-35(29-39(37)40)43(32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25,28-29H,26-27,41H2,1H3
InChIKeyQCWWKFOTXIXMEI-UHFFFAOYSA-N
XLogP10.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
CID 134594820
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
2-N-[4-(N-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159780525
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol
CID 20580158
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The IUPAC name of 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (CID 158459362) is 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.
What is the SMILES notation for 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The canonical SMILES for 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is CC1(CCN)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The InChIKey is QCWWKFOTXIXMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N3/c1-40(26-27-41)38-28-34(42(30-14-6-2-7-15-30)31-16-8-3-9-17-31)22-24-36(38)37-25-23-35(29-39(37)40)43(32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25,28-29H,26-27,41H2,1H3.
What are the key properties of 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine has a molecular weight of 557.74 g/mol, XLogP of 10.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethyl)-9-methyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is sourced from PubChem (CID 158459362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).