5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole

C49H34N8 — CID 123583824

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole
SMILESCN1C(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C49H34N8/c1-55-47(35-24-12-5-13-25-35)51-46(34-22-10-4-11-23-34)54-49(55)57-41-29-17-15-27-37(41)39-30-42-38(31-43(39)57)36-26-14-16-28-40(36)56(42)48-52-44(32-18-6-2-7-19-32)50-45(53-48)33-20-8-3-9-21-33/h2-31,47H,1H3
InChIKeyWKDJDKLOYLIUDZ-UHFFFAOYSA-N
MW734.87 g/mol
LogP10.71
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole (PubChem CID 123583824) has the molecular formula C49H34N8 and a molecular weight of 734.87 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole
PubChem CID123583824
Molecular FormulaC49H34N8
Molecular Weight734.87 g/mol
Exact Mass734.29
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole
SMILESCN1C(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C49H34N8/c1-55-47(35-24-12-5-13-25-35)51-46(34-22-10-4-11-23-34)54-49(55)57-41-29-17-15-27-37(41)39-30-42-38(31-43(39)57)36-26-14-16-28-40(36)56(42)48-52-44(32-18-6-2-7-19-32)50-45(53-48)33-20-8-3-9-21-33/h2-31,47H,1H3
InChIKeyWKDJDKLOYLIUDZ-UHFFFAOYSA-N
XLogP10.71
TPSA76.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.87
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole with MolForge

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Related Compounds

11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 168762836
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene
CID 121480523
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168835045
4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
CID 145092783
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 156554523

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole (CID 123583824) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole is CN1C(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole?
The InChIKey is WKDJDKLOYLIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N8/c1-55-47(35-24-12-5-13-25-35)51-46(34-22-10-4-11-23-34)54-49(55)57-41-29-17-15-27-37(41)39-30-42-38(31-43(39)57)36-26-14-16-28-40(36)56(42)48-52-44(32-18-6-2-7-19-32)50-45(53-48)33-20-8-3-9-21-33/h2-31,47H,1H3.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole has a molecular weight of 734.87 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 123583824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).