10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole

C51H32N6 — CID 129141718

IUPAC10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C51H32N6/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)57-46-32-36(56-42-25-13-10-22-37(42)38-23-11-14-26-43(38)56)28-29-39(46)40-30-31-45-47(48(40)57)41-24-12-15-27-44(41)55(45)35-20-8-3-9-21-35/h1-32H
InChIKeyNNHGANZPMPXTQI-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.50
Rot. Bonds5

About 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole

10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 129141718) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID129141718
Molecular FormulaC51H32N6
Molecular Weight728.86 g/mol
Exact Mass728.27
IUPAC Name10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C51H32N6/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)57-46-32-36(56-42-25-13-10-22-37(42)38-23-11-14-26-43(38)56)28-29-39(46)40-30-31-45-47(48(40)57)41-24-12-15-27-44(41)55(45)35-20-8-3-9-21-35/h1-32H
InChIKeyNNHGANZPMPXTQI-UHFFFAOYSA-N
XLogP12.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (CID 129141718) is 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is NNHGANZPMPXTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)57-46-32-36(56-42-25-13-10-22-37(42)38-23-11-14-26-43(38)56)28-29-39(46)40-30-31-45-47(48(40)57)41-24-12-15-27-44(41)55(45)35-20-8-3-9-21-35/h1-32H.
What are the key properties of 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 728.86 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 129141718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).