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

C63H39N7 — CID 135164034

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

11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole (PubChem CID 135164034) has the molecular formula C63H39N7 and a molecular weight of 894.05 g/mol. Its IUPAC name is 11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole
• PubChem CID: 135164034
• Molecular Formula: C63H39N7
• Molecular Weight: 894.05 g/mol
• Exact Mass: 893.33
• IUPAC Name: 11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc5c4[nH]c4c5ccc5c6ccccc6n(-c6ccccc6)c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1
• InChI: InChI=1S/C63H39N7/c1-4-17-39(18-5-1)40-31-33-41(34-32-40)61-65-62(52-27-16-26-47-48-35-36-49-44-23-10-13-28-53(44)68(42-19-6-2-7-20-42)58(49)57(48)64-56(47)52)67-63(66-61)70-55-30-15-12-25-46(55)51-38-37-50-45-24-11-14-29-54(45)69(59(50)60(51)70)43-21-8-3-9-22-43/h1-38,64H
• InChIKey: BSMMILLMEYLSQQ-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 69.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.05
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole (CID 135164034) is 11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc5c4[nH]c4c5ccc5c6ccccc6n(-c6ccccc6)c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.

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

The InChIKey is BSMMILLMEYLSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7/c1-4-17-39(18-5-1)40-31-33-41(34-32-40)61-65-62(52-27-16-26-47-48-35-36-49-44-23-10-13-28-53(44)68(42-19-6-2-7-20-42)58(49)57(48)64-56(47)52)67-63(66-61)70-55-30-15-12-25-46(55)51-38-37-50-45-24-11-14-29-54(45)69(59(50)60(51)70)43-21-8-3-9-22-43/h1-38,64H.

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

11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole has a molecular weight of 894.05 g/mol, XLogP of 15.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole is sourced from PubChem (CID 135164034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).