5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole

C63H41N7 — CID 70912427

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 70912427) has the molecular formula C63H41N7 and a molecular weight of 896.07 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
• PubChem CID: 70912427
• Molecular Formula: C63H41N7
• Molecular Weight: 896.07 g/mol
• Exact Mass: 895.34
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
• SMILES: C1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3)C2C=C1
• InChI: InChI=1S/C63H41N7/c1-4-19-40(20-5-1)61-64-62(41-21-6-2-7-22-41)66-63(65-61)70-54-34-17-13-30-50(54)58-56(70)38-36-48-46-28-11-15-32-52(46)69(60(48)58)44-26-18-25-43(39-44)67-53-33-16-12-29-49(53)57-55(67)37-35-47-45-27-10-14-31-51(45)68(59(47)57)42-23-8-3-9-24-42/h1-39,49,53H
• InChIKey: WZTFAPOCNCALKZ-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 56.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.07
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole (CID 70912427) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole is C1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3)C2C=C1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

The InChIKey is WZTFAPOCNCALKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N7/c1-4-19-40(20-5-1)61-64-62(41-21-6-2-7-22-41)66-63(65-61)70-54-34-17-13-30-50(54)58-56(70)38-36-48-46-28-11-15-32-52(46)69(60(48)58)44-26-18-25-43(39-44)67-53-33-16-12-29-49(53)57-55(67)37-35-47-45-27-10-14-31-51(45)68(59(47)57)42-23-8-3-9-24-42/h1-39,49,53H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 896.07 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 70912427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).