12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

C90H54N10O2 — CID 157440605

IUPAC12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/2C45H27N5O/c1-3-14-28(15-4-1)43-46-44(35-21-13-25-39-40(35)34-20-9-12-24-38(34)51-39)48-45(47-43)50-37-23-11-8-19-31(37)33-27-26-32-30-18-7-10-22-36(30)49(41(32)42(33)50)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h2*1-27H
InChIKeyBRPZCMYYQYOVMM-UHFFFAOYSA-N
MW1307.49 g/mol
LogP22.60
Rot. Bonds8

About 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 157440605) has the molecular formula C90H54N10O2 and a molecular weight of 1307.49 g/mol. Its IUPAC name is 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID157440605
Molecular FormulaC90H54N10O2
Molecular Weight1307.49 g/mol
Exact Mass1306.44
IUPAC Name12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/2C45H27N5O/c1-3-14-28(15-4-1)43-46-44(35-21-13-25-39-40(35)34-20-9-12-24-38(34)51-39)48-45(47-43)50-37-23-11-8-19-31(37)33-27-26-32-30-18-7-10-22-36(30)49(41(32)42(33)50)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h2*1-27H
InChIKeyBRPZCMYYQYOVMM-UHFFFAOYSA-N
XLogP22.60
TPSA123.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.49
LogP ≤ 522.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole with MolForge

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Related Compounds

Bisbenzimidazo(2,1-b:1',2'-j)benzo(lmn)(3,8)phenanthroline-6,9-dione, ethoxy-
CID 3085937
1-Cyclohexyl-2-[2-[2-phenyl-5-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid
CID 5276050
Bisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione, ethoxy-
CID 3085938
7-[4-[4-(4-Fluorophenyl)-6-phenylpyrimidin-2-yl]phenyl]-10-naphtho[2,1-b][1]benzofuran-5-ylbenzo[c]carbazole
CID 89590550
9-(3,5-Difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507898
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276701
3-[9-[6-(8-Fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276705
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276711
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276715
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276720
3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276726
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276728

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (CID 157440605) is 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is BRPZCMYYQYOVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H27N5O/c1-3-14-28(15-4-1)43-46-44(35-21-13-25-39-40(35)34-20-9-12-24-38(34)51-39)48-45(47-43)50-37-23-11-8-19-31(37)33-27-26-32-30-18-7-10-22-36(30)49(41(32)42(33)50)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h2*1-27H.
What are the key properties of 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1307.49 g/mol, XLogP of 22.60, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 157440605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).