2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole

C175H109N19OS — CID 163563948

IUPAC2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4cc32)c1.c1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7c6oc6ccccc67)cc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C46H28N6.C45H28N4O.C45H28N4S.C39H25N5/c1-47-33-19-13-21-35(27-33)52-41-25-11-9-23-37(41)39-28-38-36-22-8-10-24-40(36)51(42(38)29-43(39)52)34-20-12-18-32(26-34)46-49-44(30-14-4-2-5-15-30)48-45(50-46)31-16-6-3-7-17-31;1-3-13-29(14-4-1)31-17-11-18-33(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38;1-4-12-29(13-5-1)33-22-25-37-39(28-33)49(38-27-26-36-35-18-10-11-19-40(35)50-42(36)41(37)38)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h2-29H;2*1-28H;1-25H
InChIKeyFTPJBBGDUMIFRF-UHFFFAOYSA-N
MW2526.00 g/mol
LogP44.56
Rot. Bonds19

About 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole

2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 163563948) has the molecular formula C175H109N19OS and a molecular weight of 2526.00 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID163563948
Molecular FormulaC175H109N19OS
Molecular Weight2526.00 g/mol
Exact Mass2523.88
IUPAC Name2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4cc32)c1.c1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7c6oc6ccccc67)cc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C46H28N6.C45H28N4O.C45H28N4S.C39H25N5/c1-47-33-19-13-21-35(27-33)52-41-25-11-9-23-37(41)39-28-38-36-22-8-10-24-40(36)51(42(38)29-43(39)52)34-20-12-18-32(26-34)46-49-44(30-14-4-2-5-15-30)48-45(50-46)31-16-6-3-7-17-31;1-3-13-29(14-4-1)31-17-11-18-33(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38;1-4-12-29(13-5-1)33-22-25-37-39(28-33)49(38-27-26-36-35-18-10-11-19-40(35)50-42(36)41(37)38)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h2-29H;2*1-28H;1-25H
InChIKeyFTPJBBGDUMIFRF-UHFFFAOYSA-N
XLogP44.56
TPSA201.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002526.00
LogP ≤ 544.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 163563948) is 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole is [C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4cc32)c1.c1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7c6oc6ccccc67)cc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is FTPJBBGDUMIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6.C45H28N4O.C45H28N4S.C39H25N5/c1-47-33-19-13-21-35(27-33)52-41-25-11-9-23-37(41)39-28-38-36-22-8-10-24-40(36)51(42(38)29-43(39)52)34-20-12-18-32(26-34)46-49-44(30-14-4-2-5-15-30)48-45(50-46)31-16-6-3-7-17-31;1-3-13-29(14-4-1)31-17-11-18-33(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38;1-4-12-29(13-5-1)33-22-25-37-39(28-33)49(38-27-26-36-35-18-10-11-19-40(35)50-42(36)41(37)38)34-23-20-32(21-24-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h2-29H;2*1-28H;1-25H.
What are the key properties of 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole?
2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 2526.00 g/mol, XLogP of 44.56, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-isocyanophenyl)indolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 163563948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).