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

C72H44N10 — CID 88917516

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 88917516) has the molecular formula C72H44N10 and a molecular weight of 1049.21 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 88917516
• Molecular Formula: C72H44N10
• Molecular Weight: 1049.21 g/mol
• Exact Mass: 1048.38
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c67)c5)c34)n2)cc1
• InChI: InChI=1S/C72H44N10/c1-5-22-45(23-6-1)67-73-68(46-24-7-2-8-25-46)76-71(75-67)81-60-39-20-16-35-56(60)64-62(81)43-41-53-51-32-13-17-36-57(51)80(65(53)64)50-31-21-30-49(44-50)79-59-38-19-15-34-55(59)63-61(79)42-40-54-52-33-14-18-37-58(52)82(66(54)63)72-77-69(47-26-9-3-10-27-47)74-70(78-72)48-28-11-4-12-29-48/h1-44H
• InChIKey: VFYGBJOEEQOKRM-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.21
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole (CID 88917516) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c67)c5)c34)n2)cc1.

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

The InChIKey is VFYGBJOEEQOKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N10/c1-5-22-45(23-6-1)67-73-68(46-24-7-2-8-25-46)76-71(75-67)81-60-39-20-16-35-56(60)64-62(81)43-41-53-51-32-13-17-36-57(51)80(65(53)64)50-31-21-30-49(44-50)79-59-38-19-15-34-55(59)63-61(79)42-40-54-52-33-14-18-37-58(52)82(66(54)63)72-77-69(47-26-9-3-10-27-47)74-70(78-72)48-28-11-4-12-29-48/h1-44H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 1049.21 g/mol, XLogP of 17.11, 8 rotatable bonds, 0 hydrogen bond donors, and 10 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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88917516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).