5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole

C154H101N15 — CID 162187881

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5ccccc5)c4cc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/C58H39N5.C51H33N5.C45H29N5/c1-7-21-40(22-8-1)55-59-56(41-23-9-2-10-24-41)61-57(60-55)63-52-36-35-45(58(42-25-11-3-12-26-42,43-27-13-4-14-28-43)44-29-15-5-16-30-44)37-48(52)50-38-49-47-33-19-20-34-51(47)62(53(49)39-54(50)63)46-31-17-6-18-32-46;1-5-15-34(16-6-1)38-27-30-46-42(31-38)44-32-43-41-23-13-14-24-45(41)55(39-21-11-4-12-22-39)47(43)33-48(44)56(46)40-28-25-37(26-29-40)51-53-49(35-17-7-2-8-18-35)52-50(54-51)36-19-9-3-10-20-36;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-40-23-13-11-21-36(40)38-28-37-35-20-10-12-22-39(35)49(41(37)29-42(38)50)33-18-8-3-9-19-33/h1-39H;1-33H;1-29H
InChIKeyZPXAAUOZPGAGSY-UHFFFAOYSA-N
MW2161.61 g/mol
LogP37.58
Rot. Bonds19

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole (PubChem CID 162187881) has the molecular formula C154H101N15 and a molecular weight of 2161.61 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole
PubChem CID162187881
Molecular FormulaC154H101N15
Molecular Weight2161.61 g/mol
Exact Mass2159.84
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5ccccc5)c4cc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/C58H39N5.C51H33N5.C45H29N5/c1-7-21-40(22-8-1)55-59-56(41-23-9-2-10-24-41)61-57(60-55)63-52-36-35-45(58(42-25-11-3-12-26-42,43-27-13-4-14-28-43)44-29-15-5-16-30-44)37-48(52)50-38-49-47-33-19-20-34-51(47)62(53(49)39-54(50)63)46-31-17-6-18-32-46;1-5-15-34(16-6-1)38-27-30-46-42(31-38)44-32-43-41-23-13-14-24-45(41)55(39-21-11-4-12-22-39)47(43)33-48(44)56(46)40-28-25-37(26-29-40)51-53-49(35-17-7-2-8-18-35)52-50(54-51)36-19-9-3-10-20-36;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-40-23-13-11-21-36(40)38-28-37-35-20-10-12-22-39(35)49(41(37)29-42(38)50)33-18-8-3-9-19-33/h1-39H;1-33H;1-29H
InChIKeyZPXAAUOZPGAGSY-UHFFFAOYSA-N
XLogP37.58
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002161.61
LogP ≤ 537.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole (CID 162187881) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5ccccc5)c4cc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole?
The InChIKey is ZPXAAUOZPGAGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5.C51H33N5.C45H29N5/c1-7-21-40(22-8-1)55-59-56(41-23-9-2-10-24-41)61-57(60-55)63-52-36-35-45(58(42-25-11-3-12-26-42,43-27-13-4-14-28-43)44-29-15-5-16-30-44)37-48(52)50-38-49-47-33-19-20-34-51(47)62(53(49)39-54(50)63)46-31-17-6-18-32-46;1-5-15-34(16-6-1)38-27-30-46-42(31-38)44-32-43-41-23-13-14-24-45(41)55(39-21-11-4-12-22-39)47(43)33-48(44)56(46)40-28-25-37(26-29-40)51-53-49(35-17-7-2-8-18-35)52-50(54-51)36-19-9-3-10-20-36;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)50-40-23-13-11-21-36(40)38-28-37-35-20-10-12-22-39(35)49(41(37)29-42(38)50)33-18-8-3-9-19-33/h1-39H;1-33H;1-29H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole has a molecular weight of 2161.61 g/mol, XLogP of 37.58, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-2-tritylindolo[2,3-b]carbazole is sourced from PubChem (CID 162187881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).