9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole

C88H56N10 — CID 137369321

About 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole (PubChem CID 137369321) has the molecular formula C88H56N10 and a molecular weight of 1253.49 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole
• PubChem CID: 137369321
• Molecular Formula: C88H56N10
• Molecular Weight: 1253.49 g/mol
• Exact Mass: 1252.47
• IUPAC Name: 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc(-c5ccccc5)n4)cc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C88H56N10/c1-8-26-57(27-9-1)64-48-51-79-71(52-64)70-50-47-66(77-44-25-42-75(90-77)59-30-12-3-13-31-59)54-81(70)98(79)82-72(87-93-83(60-32-14-4-15-33-60)91-84(94-87)61-34-16-5-17-35-61)55-67(56-73(82)88-95-85(62-36-18-6-19-37-62)92-86(96-88)63-38-20-7-21-39-63)97-78-45-23-22-40-68(78)69-49-46-65(53-80(69)97)76-43-24-41-74(89-76)58-28-10-2-11-29-58/h1-56H
• InChIKey: QRXNJCQOFPSRKX-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1253.49
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole (CID 137369321) is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole is c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc(-c5ccccc5)n4)cc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole?

The InChIKey is QRXNJCQOFPSRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56N10/c1-8-26-57(27-9-1)64-48-51-79-71(52-64)70-50-47-66(77-44-25-42-75(90-77)59-30-12-3-13-31-59)54-81(70)98(79)82-72(87-93-83(60-32-14-4-15-33-60)91-84(94-87)61-34-16-5-17-35-61)55-67(56-73(82)88-95-85(62-36-18-6-19-37-62)92-86(96-88)63-38-20-7-21-39-63)97-78-45-23-22-40-68(78)69-49-46-65(53-80(69)97)76-43-24-41-74(89-76)58-28-10-2-11-29-58/h1-56H.

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

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1253.49 g/mol, XLogP of 21.38, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-phenyl-2-(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 137369321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).