12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole

C73H46N8 — CID 169037030

About 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole

12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 169037030) has the molecular formula C73H46N8 and a molecular weight of 1035.23 g/mol. Its IUPAC name is 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 169037030
• Molecular Formula: C73H46N8
• Molecular Weight: 1035.23 g/mol
• Exact Mass: 1034.38
• IUPAC Name: 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)n7)c6c54)c3)n2)cc1
• InChI: InChI=1S/C73H46N8/c1-6-23-47(24-7-1)67-74-68(48-25-8-2-9-26-48)76-70(75-67)50-29-22-34-54(45-50)80-63-39-20-17-36-57(63)59-43-44-60-58-37-18-21-40-64(58)81(66(60)65(59)80)72-78-69(49-27-10-3-11-28-49)77-71(79-72)51-41-42-56-55-35-16-19-38-61(55)73(62(56)46-51,52-30-12-4-13-31-52)53-32-14-5-15-33-53/h1-46H
• InChIKey: DVSCGUOZFNPCHY-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.23
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole (CID 169037030) is 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)n7)c6c54)c3)n2)cc1.

What is the InChIKey of 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole?

The InChIKey is DVSCGUOZFNPCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N8/c1-6-23-47(24-7-1)67-74-68(48-25-8-2-9-26-48)76-70(75-67)50-29-22-34-54(45-50)80-63-39-20-17-36-57(63)59-43-44-60-58-37-18-21-40-64(58)81(66(60)65(59)80)72-78-69(49-27-10-3-11-28-49)77-71(79-72)51-41-42-56-55-35-16-19-38-61(55)73(62(56)46-51,52-30-12-4-13-31-52)53-32-14-5-15-33-53/h1-46H.

What are the key properties of 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole?

12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 1035.23 g/mol, XLogP of 16.95, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 169037030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).