1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine

C74H58N4 — CID 154947548

IUPAC1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine
SMILESCC/C(=C\C1=C(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C12c1cc(N(c3ccccc3)c3ccccc3)ccc1-c1ccc(N(c3ccccc3)c3ccccc3)cc12)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C74H58N4/c1-3-55(75(56-28-12-4-13-29-56)57-30-14-5-15-31-57)50-70-54(2)67-47-44-64(76(58-32-16-6-17-33-58)59-34-18-7-19-35-59)51-71(67)74(70)72-52-65(77(60-36-20-8-21-37-60)61-38-22-9-23-39-61)45-48-68(72)69-49-46-66(53-73(69)74)78(62-40-24-10-25-41-62)63-42-26-11-27-43-63/h4-53H,3H2,1-2H3/b55-50+
InChIKeySXFLJOLLUOWVMK-IMELJHBFSA-N
MW1003.31 g/mol
LogP20.33
Rot. Bonds14

About 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine

1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine (PubChem CID 154947548) has the molecular formula C74H58N4 and a molecular weight of 1003.31 g/mol. Its IUPAC name is 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine.

Molecular Properties

Compound Name1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine
PubChem CID154947548
Molecular FormulaC74H58N4
Molecular Weight1003.31 g/mol
Exact Mass1002.47
IUPAC Name1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine
SMILESCC/C(=C\C1=C(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C12c1cc(N(c3ccccc3)c3ccccc3)ccc1-c1ccc(N(c3ccccc3)c3ccccc3)cc12)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C74H58N4/c1-3-55(75(56-28-12-4-13-29-56)57-30-14-5-15-31-57)50-70-54(2)67-47-44-64(76(58-32-16-6-17-33-58)59-34-18-7-19-35-59)51-71(67)74(70)72-52-65(77(60-36-20-8-21-37-60)61-38-22-9-23-39-61)45-48-68(72)69-49-46-66(53-73(69)74)78(62-40-24-10-25-41-62)63-42-26-11-27-43-63/h4-53H,3H2,1-2H3/b55-50+
InChIKeySXFLJOLLUOWVMK-IMELJHBFSA-N
XLogP20.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.31
LogP ≤ 520.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine with MolForge

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Related Compounds

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
1,3,3,9,9-pentamethyl-N,N-diphenyl-2-[(1E)-2-(N-phenylanilino)buta-1,3-dienyl]cyclopenta[b]fluoren-7-amine
CID 89049791
9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
CID 139762405
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenylspiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604176
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
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
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine?
The IUPAC name of 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine (CID 154947548) is 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine.
What is the SMILES notation for 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine?
The canonical SMILES for 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine is CC/C(=C\C1=C(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C12c1cc(N(c3ccccc3)c3ccccc3)ccc1-c1ccc(N(c3ccccc3)c3ccccc3)cc12)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine?
The InChIKey is SXFLJOLLUOWVMK-IMELJHBFSA-N. The full InChI is InChI=1S/C74H58N4/c1-3-55(75(56-28-12-4-13-29-56)57-30-14-5-15-31-57)50-70-54(2)67-47-44-64(76(58-32-16-6-17-33-58)59-34-18-7-19-35-59)51-71(67)74(70)72-52-65(77(60-36-20-8-21-37-60)61-38-22-9-23-39-61)45-48-68(72)69-49-46-66(53-73(69)74)78(62-40-24-10-25-41-62)63-42-26-11-27-43-63/h4-53H,3H2,1-2H3/b55-50+.
What are the key properties of 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine?
1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine has a molecular weight of 1003.31 g/mol, XLogP of 20.33, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine is sourced from PubChem (CID 154947548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).