2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione

C174H102N18O12 — CID 158117286

IUPAC2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione
SMILESCn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)n3)C4=O)ccc21.Cn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)n3)C4=O)ccc21
InChIInChI=1S/C90H53N9O6.C84H49N9O6/c1-94-73-30-11-8-21-58(73)70-45-52(33-42-74(70)94)55-36-39-67-79-61(55)24-14-27-64(79)82(100)97(85(67)103)88-91-89(98-83(101)65-28-15-25-62-56(37-40-68(80(62)65)86(98)104)53-34-43-77-71(46-53)59-22-9-12-31-75(59)95(77)48-50-17-4-2-5-18-50)93-90(92-88)99-84(102)66-29-16-26-63-57(38-41-69(81(63)66)87(99)105)54-35-44-78-72(47-54)60-23-10-13-32-76(60)96(78)49-51-19-6-3-7-20-51;1-88-67-26-9-6-17-52(67)64-41-46(29-38-69(64)88)49-32-35-61-73-55(49)20-12-23-58(73)76(94)91(79(61)97)82-85-83(92-77(95)59-24-13-21-56-50(33-36-62(74(56)59)80(92)98)47-30-39-70-65(42-47)53-18-7-10-27-68(53)89(70)2)87-84(86-82)93-78(96)60-25-14-22-57-51(34-37-63(75(57)60)81(93)99)48-31-40-72-66(43-48)54-19-8-11-28-71(54)90(72)44-45-15-4-3-5-16-45/h2-47H,48-49H2,1H3;3-43H,44H2,1-2H3
InChIKeyFRDZQRNRJDDXGK-UHFFFAOYSA-N
MW2636.84 g/mol
LogP35.87
Rot. Bonds18

About 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione

2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 158117286) has the molecular formula C174H102N18O12 and a molecular weight of 2636.84 g/mol. Its IUPAC name is 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID158117286
Molecular FormulaC174H102N18O12
Molecular Weight2636.84 g/mol
Exact Mass2634.79
IUPAC Name2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione
SMILESCn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)n3)C4=O)ccc21.Cn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)n3)C4=O)ccc21
InChIInChI=1S/C90H53N9O6.C84H49N9O6/c1-94-73-30-11-8-21-58(73)70-45-52(33-42-74(70)94)55-36-39-67-79-61(55)24-14-27-64(79)82(100)97(85(67)103)88-91-89(98-83(101)65-28-15-25-62-56(37-40-68(80(62)65)86(98)104)53-34-43-77-71(46-53)59-22-9-12-31-75(59)95(77)48-50-17-4-2-5-18-50)93-90(92-88)99-84(102)66-29-16-26-63-57(38-41-69(81(63)66)87(99)105)54-35-44-78-72(47-54)60-23-10-13-32-76(60)96(78)49-51-19-6-3-7-20-51;1-88-67-26-9-6-17-52(67)64-41-46(29-38-69(64)88)49-32-35-61-73-55(49)20-12-23-58(73)76(94)91(79(61)97)82-85-83(92-77(95)59-24-13-21-56-50(33-36-62(74(56)59)80(92)98)47-30-39-70-65(42-47)53-18-7-10-27-68(53)89(70)2)87-84(86-82)93-78(96)60-25-14-22-57-51(34-37-63(75(57)60)81(93)99)48-31-40-72-66(43-48)54-19-8-11-28-71(54)90(72)44-45-15-4-3-5-16-45/h2-47H,48-49H2,1H3;3-43H,44H2,1-2H3
InChIKeyFRDZQRNRJDDXGK-UHFFFAOYSA-N
XLogP35.87
TPSA331.20 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002636.84
LogP ≤ 535.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione (CID 158117286) is 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione is Cn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)n3)C4=O)ccc21.Cn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9Cc8ccccc8)ccc(c67)C5=O)n3)C4=O)ccc21.
What is the InChIKey of 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is FRDZQRNRJDDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H53N9O6.C84H49N9O6/c1-94-73-30-11-8-21-58(73)70-45-52(33-42-74(70)94)55-36-39-67-79-61(55)24-14-27-64(79)82(100)97(85(67)103)88-91-89(98-83(101)65-28-15-25-62-56(37-40-68(80(62)65)86(98)104)53-34-43-77-71(46-53)59-22-9-12-31-75(59)95(77)48-50-17-4-2-5-18-50)93-90(92-88)99-84(102)66-29-16-26-63-57(38-41-69(81(63)66)87(99)105)54-35-44-78-72(47-54)60-23-10-13-32-76(60)96(78)49-51-19-6-3-7-20-51;1-88-67-26-9-6-17-52(67)64-41-46(29-38-69(64)88)49-32-35-61-73-55(49)20-12-23-58(73)76(94)91(79(61)97)82-85-83(92-77(95)59-24-13-21-56-50(33-36-62(74(56)59)80(92)98)47-30-39-70-65(42-47)53-18-7-10-27-68(53)89(70)2)87-84(86-82)93-78(96)60-25-14-22-57-51(34-37-63(75(57)60)81(93)99)48-31-40-72-66(43-48)54-19-8-11-28-71(54)90(72)44-45-15-4-3-5-16-45/h2-47H,48-49H2,1H3;3-43H,44H2,1-2H3.
What are the key properties of 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione?
2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 2636.84 g/mol, XLogP of 35.87, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-6-[6-(9-methylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione;2-[4,6-bis[6-(9-benzylcarbazol-3-yl)-1,3-dioxobenzo[de]isoquinolin-2-yl]-1,3,5-triazin-2-yl]-6-(9-methylcarbazol-3-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 158117286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).