11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C67H43N5 — CID 170291211

About 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 170291211) has the molecular formula C67H43N5 and a molecular weight of 918.12 g/mol. Its IUPAC name is 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 170291211
• Molecular Formula: C67H43N5
• Molecular Weight: 918.12 g/mol
• Exact Mass: 917.35
• IUPAC Name: 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc9cccc(-c%10ccccc%10)c89)cc7)n6)c5c43)c2)cc1
• InChI: InChI=1S/C67H43N5/c1-5-19-44(20-6-1)51-41-52(45-21-7-2-8-22-45)43-53(42-51)71-60-33-15-13-29-56(60)58-39-40-59-57-30-14-16-34-61(57)72(64(59)63(58)71)67-69-65(49-25-11-4-12-26-49)68-66(70-67)50-37-35-47(36-38-50)55-32-18-28-48-27-17-31-54(62(48)55)46-23-9-3-10-24-46/h1-43H
• InChIKey: JXXHAPSAXFTEOL-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.12
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 170291211) is 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc9cccc(-c%10ccccc%10)c89)cc7)n6)c5c43)c2)cc1.

What is the InChIKey of 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is JXXHAPSAXFTEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5/c1-5-19-44(20-6-1)51-41-52(45-21-7-2-8-22-45)43-53(42-51)71-60-33-15-13-29-56(60)58-39-40-59-57-30-14-16-34-61(57)72(64(59)63(58)71)67-69-65(49-25-11-4-12-26-49)68-66(70-67)50-37-35-47(36-38-50)55-32-18-28-48-27-17-31-54(62(48)55)46-23-9-3-10-24-46/h1-43H.

What are the key properties of 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 918.12 g/mol, XLogP of 17.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3,5-diphenylphenyl)-12-[4-phenyl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170291211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).