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

C69H46N6 — CID 175616630

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

12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole (PubChem CID 175616630) has the molecular formula C69H46N6 and a molecular weight of 959.17 g/mol. Its IUPAC name is 12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole
• PubChem CID: 175616630
• Molecular Formula: C69H46N6
• Molecular Weight: 959.17 g/mol
• Exact Mass: 958.38
• IUPAC Name: 12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole
• SMILES: C1=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5c43)n2)C=C2C(C1)c1ccccc1N2c1ccccc1
• InChI: InChI=1S/C69H46N6/c1-4-18-45(19-5-1)46-32-34-47(35-33-46)48-36-38-49(39-37-48)53-24-10-14-28-60(53)74-62-30-16-12-26-55(62)58-42-43-59-56-27-13-17-31-63(56)75(66(59)65(58)74)69-71-67(50-20-6-2-7-21-50)70-68(72-69)51-40-41-57-54-25-11-15-29-61(54)73(64(57)44-51)52-22-8-3-9-23-52/h1-40,42-44,57H,41H2
• InChIKey: GCHFMZRGQWAGFD-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.17
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole (CID 175616630) is 12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole is C1=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5c43)n2)C=C2C(C1)c1ccccc1N2c1ccccc1.

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

The InChIKey is GCHFMZRGQWAGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N6/c1-4-18-45(19-5-1)46-32-34-47(35-33-46)48-36-38-49(39-37-48)53-24-10-14-28-60(53)74-62-30-16-12-26-55(62)58-42-43-59-56-27-13-17-31-63(56)75(66(59)65(58)74)69-71-67(50-20-6-2-7-21-50)70-68(72-69)51-40-41-57-54-25-11-15-29-61(54)73(64(57)44-51)52-22-8-3-9-23-52/h1-40,42-44,57H,41H2.

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

12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 959.17 g/mol, XLogP of 17.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-phenyl-6-(9-phenyl-4,4a-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]-11-[2-[4-(4-phenylphenyl)phenyl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 175616630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).