5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole

C114H71Br3N16O8 — CID 159044387

IUPAC5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole
SMILESBrc1ccccc1-n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.O=[N+]([O-])c1cc(-c2ccccc2)c([N+](=O)[O-])cc1-c1ccccc1.O=[N+]([O-])c1cc(Br)c([N+](=O)[O-])cc1Br.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5[nH]c6ccccc6c5cc43)n2)cc1.c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13
InChIInChI=1S/C39H24BrN5.C33H21N5.C18H12N2O4.C18H12N2.C6H2Br2N2O4/c40-31-19-9-12-22-34(31)44-32-20-10-7-17-27(32)29-24-36-30(23-35(29)44)28-18-8-11-21-33(28)45(36)39-42-37(25-13-3-1-4-14-25)41-38(43-39)26-15-5-2-6-16-26;1-3-11-21(12-4-1)31-35-32(22-13-5-2-6-14-22)37-33(36-31)38-29-18-10-8-16-24(29)26-19-28-25(20-30(26)38)23-15-7-9-17-27(23)34-28;21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13;1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18;7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-24H;1-20,34H;1-12H;1-10,19-20H;1-2H
InChIKeyJWLVHOJKWDMJJE-UHFFFAOYSA-N
MW2032.64 g/mol
LogP30.92
Rot. Bonds13

About 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole

5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole (PubChem CID 159044387) has the molecular formula C114H71Br3N16O8 and a molecular weight of 2032.64 g/mol. Its IUPAC name is 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole
PubChem CID159044387
Molecular FormulaC114H71Br3N16O8
Molecular Weight2032.64 g/mol
Exact Mass2028.32
IUPAC Name5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole
SMILESBrc1ccccc1-n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.O=[N+]([O-])c1cc(-c2ccccc2)c([N+](=O)[O-])cc1-c1ccccc1.O=[N+]([O-])c1cc(Br)c([N+](=O)[O-])cc1Br.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5[nH]c6ccccc6c5cc43)n2)cc1.c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13
InChIInChI=1S/C39H24BrN5.C33H21N5.C18H12N2O4.C18H12N2.C6H2Br2N2O4/c40-31-19-9-12-22-34(31)44-32-20-10-7-17-27(32)29-24-36-30(23-35(29)44)28-18-8-11-21-33(28)45(36)39-42-37(25-13-3-1-4-14-25)41-38(43-39)26-15-5-2-6-16-26;1-3-11-21(12-4-1)31-35-32(22-13-5-2-6-14-22)37-33(36-31)38-29-18-10-8-16-24(29)26-19-28-25(20-30(26)38)23-15-7-9-17-27(23)34-28;21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13;1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18;7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-24H;1-20,34H;1-12H;1-10,19-20H;1-2H
InChIKeyJWLVHOJKWDMJJE-UHFFFAOYSA-N
XLogP30.92
TPSA312.06 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.64
LogP ≤ 530.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole?
The IUPAC name of 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole (CID 159044387) is 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole?
The canonical SMILES for 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole is Brc1ccccc1-n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.O=[N+]([O-])c1cc(-c2ccccc2)c([N+](=O)[O-])cc1-c1ccccc1.O=[N+]([O-])c1cc(Br)c([N+](=O)[O-])cc1Br.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5[nH]c6ccccc6c5cc43)n2)cc1.c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13.
What is the InChIKey of 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole?
The InChIKey is JWLVHOJKWDMJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24BrN5.C33H21N5.C18H12N2O4.C18H12N2.C6H2Br2N2O4/c40-31-19-9-12-22-34(31)44-32-20-10-7-17-27(32)29-24-36-30(23-35(29)44)28-18-8-11-21-33(28)45(36)39-42-37(25-13-3-1-4-14-25)41-38(43-39)26-15-5-2-6-16-26;1-3-11-21(12-4-1)31-35-32(22-13-5-2-6-14-22)37-33(36-31)38-29-18-10-8-16-24(29)26-19-28-25(20-30(26)38)23-15-7-9-17-27(23)34-28;21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13;1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18;7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-24H;1-20,34H;1-12H;1-10,19-20H;1-2H.
What are the key properties of 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole?
5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole has a molecular weight of 2032.64 g/mol, XLogP of 30.92, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;1,4-dibromo-2,5-dinitrobenzene;5,11-dihydroindolo[3,2-b]carbazole;1,4-dinitro-2,5-diphenylbenzene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11H-indolo[3,2-b]carbazole is sourced from PubChem (CID 159044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).