3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C75H47N7 — CID 134236507

About 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 134236507) has the molecular formula C75H47N7 and a molecular weight of 1046.25 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 134236507
• Molecular Formula: C75H47N7
• Molecular Weight: 1046.25 g/mol
• Exact Mass: 1045.39
• IUPAC Name: 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1
• InChI: InChI=1S/C75H47N7/c1-4-20-48(21-5-1)55-26-10-11-31-62(55)73-76-74(81-67-34-18-14-29-58(67)63-44-49(38-42-69(63)81)51-36-40-60-56-27-12-16-32-65(56)79(71(60)46-51)53-22-6-2-7-23-53)78-75(77-73)82-68-35-19-15-30-59(68)64-45-50(39-43-70(64)82)52-37-41-61-57-28-13-17-33-66(57)80(72(61)47-52)54-24-8-3-9-25-54/h1-47H
• InChIKey: PVUSZSZSLRJNQG-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.25
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 134236507) is 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

The InChIKey is PVUSZSZSLRJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N7/c1-4-20-48(21-5-1)55-26-10-11-31-62(55)73-76-74(81-67-34-18-14-29-58(67)63-44-49(38-42-69(63)81)51-36-40-60-56-27-12-16-32-65(56)79(71(60)46-51)53-22-6-2-7-23-53)78-75(77-73)82-68-35-19-15-30-59(68)64-45-50(39-43-70(64)82)52-37-41-61-57-28-13-17-33-66(57)80(72(61)47-52)54-24-8-3-9-25-54/h1-47H.

What are the key properties of 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?

3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1046.25 g/mol, XLogP of 18.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 134236507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).