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-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

C162H94N18O12 — CID 159107343

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-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
SMILESCn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)n3)C4=O)ccc21.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
InChIInChI=1S/C84H49N9O6.C78H45N9O6/c1-88-67-26-9-6-17-52(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;1-82-61-22-7-4-13-46(61)58-37-40(25-34-64(58)82)43-28-31-55-67-49(43)16-10-19-52(67)70(88)85(73(55)91)76-79-77(86-71(89)53-20-11-17-50-44(29-32-56(68(50)53)74(86)92)41-26-35-65-59(38-41)47-14-5-8-23-62(47)83(65)2)81-78(80-76)87-72(90)54-21-12-18-51-45(30-33-57(69(51)54)75(87)93)42-27-36-66-60(39-42)48-15-6-9-24-63(48)84(66)3/h3-43H,44H2,1-2H3;4-39H,1-3H3
InChIKeyKEBADRWFZZLLNR-UHFFFAOYSA-N
MW2484.65 g/mol
LogP32.85
Rot. Bonds14

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-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-(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-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 (PubChem CID 159107343) has the molecular formula C162H94N18O12 and a molecular weight of 2484.65 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-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.

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-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
PubChem CID159107343
Molecular FormulaC162H94N18O12
Molecular Weight2484.65 g/mol
Exact Mass2482.73
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-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
SMILESCn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)n3)C4=O)ccc21.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
InChIInChI=1S/C84H49N9O6.C78H45N9O6/c1-88-67-26-9-6-17-52(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;1-82-61-22-7-4-13-46(61)58-37-40(25-34-64(58)82)43-28-31-55-67-49(43)16-10-19-52(67)70(88)85(73(55)91)76-79-77(86-71(89)53-20-11-17-50-44(29-32-56(68(50)53)74(86)92)41-26-35-65-59(38-41)47-14-5-8-23-62(47)83(65)2)81-78(80-76)87-72(90)54-21-12-18-51-45(30-33-57(69(51)54)75(87)93)42-27-36-66-60(39-42)48-15-6-9-24-63(48)84(66)3/h3-43H,44H2,1-2H3;4-39H,1-3H3
InChIKeyKEBADRWFZZLLNR-UHFFFAOYSA-N
XLogP32.85
TPSA331.20 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002484.65
LogP ≤ 532.85
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-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 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-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?
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-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 (CID 159107343) 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-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.
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-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?
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-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 is Cn1c2ccccc2c2cc(-c3ccc4c5c(cccc35)C(=O)N(c3nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)nc(N5C(=O)c6cccc7c(-c8ccc9c(c8)c8ccccc8n9C)ccc(c67)C5=O)n3)C4=O)ccc21.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.
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-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?
The InChIKey is KEBADRWFZZLLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H49N9O6.C78H45N9O6/c1-88-67-26-9-6-17-52(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;1-82-61-22-7-4-13-46(61)58-37-40(25-34-64(58)82)43-28-31-55-67-49(43)16-10-19-52(67)70(88)85(73(55)91)76-79-77(86-71(89)53-20-11-17-50-44(29-32-56(68(50)53)74(86)92)41-26-35-65-59(38-41)47-14-5-8-23-62(47)83(65)2)81-78(80-76)87-72(90)54-21-12-18-51-45(30-33-57(69(51)54)75(87)93)42-27-36-66-60(39-42)48-15-6-9-24-63(48)84(66)3/h3-43H,44H2,1-2H3;4-39H,1-3H3.
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-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-(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-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 has a molecular weight of 2484.65 g/mol, XLogP of 32.85, 14 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-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 is sourced from PubChem (CID 159107343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).