9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole

C61H36N4O2 — CID 142570054

IUPAC9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)c2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C61H36N4O2/c1-3-13-37(14-4-1)40-27-31-52-51(34-40)49-23-12-22-46(41-25-30-50-56(35-41)67-54-32-28-38-15-7-8-20-45(38)57(50)54)58(49)65(52)44-19-11-18-42(33-44)60-62-59(39-16-5-2-6-17-39)63-61(64-60)43-26-29-48-47-21-9-10-24-53(47)66-55(48)36-43/h1-36H
InChIKeyIKXCRPCDTXEMMI-UHFFFAOYSA-N
MW856.99 g/mol
LogP16.26
Rot. Bonds6

About 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole

9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole (PubChem CID 142570054) has the molecular formula C61H36N4O2 and a molecular weight of 856.99 g/mol. Its IUPAC name is 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
PubChem CID142570054
Molecular FormulaC61H36N4O2
Molecular Weight856.99 g/mol
Exact Mass856.28
IUPAC Name9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)c2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C61H36N4O2/c1-3-13-37(14-4-1)40-27-31-52-51(34-40)49-23-12-22-46(41-25-30-50-56(35-41)67-54-32-28-38-15-7-8-20-45(38)57(50)54)58(49)65(52)44-19-11-18-42(33-44)60-62-59(39-16-5-2-6-17-39)63-61(64-60)43-26-29-48-47-21-9-10-24-53(47)66-55(48)36-43/h1-36H
InChIKeyIKXCRPCDTXEMMI-UHFFFAOYSA-N
XLogP16.26
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.99
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole with MolForge

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Related Compounds

6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
CID 142570608
12-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916102
6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201179
1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 159616127
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane
CID 142571417
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole
CID 142569498
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole?
The IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole (CID 142570054) is 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole.
What is the SMILES notation for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole?
The canonical SMILES for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)c2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole?
The InChIKey is IKXCRPCDTXEMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N4O2/c1-3-13-37(14-4-1)40-27-31-52-51(34-40)49-23-12-22-46(41-25-30-50-56(35-41)67-54-32-28-38-15-7-8-20-45(38)57(50)54)58(49)65(52)44-19-11-18-42(33-44)60-62-59(39-16-5-2-6-17-39)63-61(64-60)43-26-29-48-47-21-9-10-24-53(47)66-55(48)36-43/h1-36H.
What are the key properties of 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole?
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole has a molecular weight of 856.99 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole is sourced from PubChem (CID 142570054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).