6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C62H58N4O8 — CID 164810553

IUPAC6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCc1cc(CC)cc(Cc2cc(CC)c(-n3c(=O)c4cc5c(=O)n(-c6c(CC)cc(Cc7cc(CC)c(-n8c(=O)c9cc%10c(=O)[nH]c(=O)c%10cc9c8=O)c(CC)c7)cc6CC)c(=O)c5cc4c3=O)c(CC)c2)c1
InChIInChI=1S/C62H58N4O8/c1-9-32-17-33(10-2)19-34(18-32)20-35-22-38(11-3)53(39(12-4)23-35)65-59(71)48-30-50-51(31-49(48)60(65)72)62(74)66(61(50)73)54-42(15-7)26-37(27-43(54)16-8)21-36-24-40(13-5)52(41(14-6)25-36)64-57(69)46-28-44-45(29-47(46)58(64)70)56(68)63-55(44)67/h17-19,22-31H,9-16,20-21H2,1-8H3,(H,63,67,68)
InChIKeyBDDIFPRCIGVLAQ-UHFFFAOYSA-N
MW987.17 g/mol
LogP8.31
Rot. Bonds15

About 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 164810553) has the molecular formula C62H58N4O8 and a molecular weight of 987.17 g/mol. Its IUPAC name is 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID164810553
Molecular FormulaC62H58N4O8
Molecular Weight987.17 g/mol
Exact Mass986.43
IUPAC Name6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCc1cc(CC)cc(Cc2cc(CC)c(-n3c(=O)c4cc5c(=O)n(-c6c(CC)cc(Cc7cc(CC)c(-n8c(=O)c9cc%10c(=O)[nH]c(=O)c%10cc9c8=O)c(CC)c7)cc6CC)c(=O)c5cc4c3=O)c(CC)c2)c1
InChIInChI=1S/C62H58N4O8/c1-9-32-17-33(10-2)19-34(18-32)20-35-22-38(11-3)53(39(12-4)23-35)65-59(71)48-30-50-51(31-49(48)60(65)72)62(74)66(61(50)73)54-42(15-7)26-37(27-43(54)16-8)21-36-24-40(13-5)52(41(14-6)25-36)64-57(69)46-28-44-45(29-47(46)58(64)70)56(68)63-55(44)67/h17-19,22-31H,9-16,20-21H2,1-8H3,(H,63,67,68)
InChIKeyBDDIFPRCIGVLAQ-UHFFFAOYSA-N
XLogP8.31
TPSA167.14 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500987.17
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 165063249
2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 170189407
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
2-(2-sulfanylethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944370
CID 174024110
CID 174024110
7-(2,6-diethylphenyl)-14,21-dihydroxy-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,6,8,12-tetrone
CID 140543975
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide
CID 12944374
but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 145379100
2,6-bis(2,6-diacetyl-4-propylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 118326317
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;propane
CID 144775356
1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylsulfonylphenyl]methyl]-2-ethyl-6-methylsulfonylphenyl]pyrrole-2,5-dione
CID 71251816

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 164810553) is 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CCc1cc(CC)cc(Cc2cc(CC)c(-n3c(=O)c4cc5c(=O)n(-c6c(CC)cc(Cc7cc(CC)c(-n8c(=O)c9cc%10c(=O)[nH]c(=O)c%10cc9c8=O)c(CC)c7)cc6CC)c(=O)c5cc4c3=O)c(CC)c2)c1.
What is the InChIKey of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is BDDIFPRCIGVLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58N4O8/c1-9-32-17-33(10-2)19-34(18-32)20-35-22-38(11-3)53(39(12-4)23-35)65-59(71)48-30-50-51(31-49(48)60(65)72)62(74)66(61(50)73)54-42(15-7)26-37(27-43(54)16-8)21-36-24-40(13-5)52(41(14-6)25-36)64-57(69)46-28-44-45(29-47(46)58(64)70)56(68)63-55(44)67/h17-19,22-31H,9-16,20-21H2,1-8H3,(H,63,67,68).
What are the key properties of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 987.17 g/mol, XLogP of 8.31, 15 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 164810553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).