3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

C88H56N6 — CID 134236668

About 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (PubChem CID 134236668) has the molecular formula C88H56N6 and a molecular weight of 1197.46 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
• PubChem CID: 134236668
• Molecular Formula: C88H56N6
• Molecular Weight: 1197.46 g/mol
• Exact Mass: 1196.46
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)c2)cc1
• InChI: InChI=1S/C88H56N6/c1-4-21-57(22-5-1)58-23-18-24-59(49-58)60-25-19-26-65(50-60)78-56-79(90-88(89-78)94-83-40-17-13-36-73(83)77-55-64(44-48-87(77)94)62-42-46-85-75(53-62)71-34-11-15-38-81(71)92(85)68-30-8-3-9-31-68)66-27-20-32-69(51-66)93-82-39-16-12-35-72(82)76-54-63(43-47-86(76)93)61-41-45-84-74(52-61)70-33-10-14-37-80(70)91(84)67-28-6-2-7-29-67/h1-56H
• InChIKey: XRMGYJIWQGNBAL-UHFFFAOYSA-N
• XLogP: 22.87
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.46
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (CID 134236668) is 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)c2)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

The InChIKey is XRMGYJIWQGNBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56N6/c1-4-21-57(22-5-1)58-23-18-24-59(49-58)60-25-19-26-65(50-60)78-56-79(90-88(89-78)94-83-40-17-13-36-73(83)77-55-64(44-48-87(77)94)62-42-46-85-75(53-62)71-34-11-15-38-81(71)92(85)68-30-8-3-9-31-68)66-27-20-32-69(51-66)93-82-39-16-12-35-72(82)76-54-63(43-47-86(76)93)61-41-45-84-74(52-61)70-33-10-14-37-80(70)91(84)67-28-6-2-7-29-67/h1-56H.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 1197.46 g/mol, XLogP of 22.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 134236668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).