2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione

C73H60F6N4O4 — CID 18737330

IUPAC2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
SMILESCNc1ccc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(C(C)(C)c8ccc(C(C)(C)c9ccc(N(C)C)cc9)cc8)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C73H60F6N4O4/c1-42-38-48(28-36-62(42)80-7)70(60-16-12-10-14-54(60)55-15-11-13-17-61(55)70)49-29-37-63(43(2)39-49)83-65(85)57-35-27-51(41-59(57)67(83)87)71(72(74,75)76,73(77,78)79)50-26-34-56-58(40-50)66(86)82(64(56)84)53-32-24-47(25-33-53)69(5,6)45-20-18-44(19-21-45)68(3,4)46-22-30-52(31-23-46)81(8)9/h10-41,80H,1-9H3
InChIKeyNBKSGASMJMVUOZ-UHFFFAOYSA-N
MW1171.29 g/mol
LogP16.44
Rot. Bonds12

About 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione

2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione (PubChem CID 18737330) has the molecular formula C73H60F6N4O4 and a molecular weight of 1171.29 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
PubChem CID18737330
Molecular FormulaC73H60F6N4O4
Molecular Weight1171.29 g/mol
Exact Mass1170.45
IUPAC Name2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
SMILESCNc1ccc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(C(C)(C)c8ccc(C(C)(C)c9ccc(N(C)C)cc9)cc8)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C73H60F6N4O4/c1-42-38-48(28-36-62(42)80-7)70(60-16-12-10-14-54(60)55-15-11-13-17-61(55)70)49-29-37-63(43(2)39-49)83-65(85)57-35-27-51(41-59(57)67(83)87)71(72(74,75)76,73(77,78)79)50-26-34-56-58(40-50)66(86)82(64(56)84)53-32-24-47(25-33-53)69(5,6)45-20-18-44(19-21-45)68(3,4)46-22-30-52(31-23-46)81(8)9/h10-41,80H,1-9H3
InChIKeyNBKSGASMJMVUOZ-UHFFFAOYSA-N
XLogP16.44
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.29
LogP ≤ 516.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione (CID 18737330) is 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione is CNc1ccc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(C(C)(C)c8ccc(C(C)(C)c9ccc(N(C)C)cc9)cc8)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc1C.
What is the InChIKey of 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
The InChIKey is NBKSGASMJMVUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H60F6N4O4/c1-42-38-48(28-36-62(42)80-7)70(60-16-12-10-14-54(60)55-15-11-13-17-61(55)70)49-29-37-63(43(2)39-49)83-65(85)57-35-27-51(41-59(57)67(83)87)71(72(74,75)76,73(77,78)79)50-26-34-56-58(40-50)66(86)82(64(56)84)53-32-24-47(25-33-53)69(5,6)45-20-18-44(19-21-45)68(3,4)46-22-30-52(31-23-46)81(8)9/h10-41,80H,1-9H3.
What are the key properties of 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione has a molecular weight of 1171.29 g/mol, XLogP of 16.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[4-(dimethylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[9-[3-methyl-4-(methylamino)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 18737330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).