9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole

C90H58N8 — CID 142555778

About 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole

9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole (PubChem CID 142555778) has the molecular formula C90H58N8 and a molecular weight of 1251.51 g/mol. Its IUPAC name is 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole
• PubChem CID: 142555778
• Molecular Formula: C90H58N8
• Molecular Weight: 1251.51 g/mol
• Exact Mass: 1250.48
• IUPAC Name: 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc(-c3ccccc3-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)n2)cc1
• InChI: InChI=1S/C90H58N8/c1-6-24-59(25-7-1)86-68(36-20-50-91-86)64-42-46-72-73-47-43-65(69-37-21-51-92-87(69)60-26-8-2-9-27-60)55-83(73)97(82(72)54-64)80-40-18-16-34-76(80)78-58-79(96-90(95-78)63-32-14-5-15-33-63)77-35-17-19-41-81(77)98-84-56-66(70-38-22-52-93-88(70)61-28-10-3-11-29-61)44-48-74(84)75-49-45-67(57-85(75)98)71-39-23-53-94-89(71)62-30-12-4-13-31-62/h1-58H
• InChIKey: ABCUURVFKPCOOM-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.51
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?

The IUPAC name of 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole (CID 142555778) is 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole.

What is the SMILES notation for 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?

The canonical SMILES for 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cc(-c3ccccc3-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)n2)cc1.

What is the InChIKey of 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?

The InChIKey is ABCUURVFKPCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H58N8/c1-6-24-59(25-7-1)86-68(36-20-50-91-86)64-42-46-72-73-47-43-65(69-37-21-51-92-87(69)60-26-8-2-9-27-60)55-83(73)97(82(72)54-64)80-40-18-16-34-76(80)78-58-79(96-90(95-78)63-32-14-5-15-33-63)77-35-17-19-41-81(77)98-84-56-66(70-38-22-52-93-88(70)61-28-10-3-11-29-61)44-48-74(84)75-49-45-67(57-85(75)98)71-39-23-53-94-89(71)62-30-12-4-13-31-62/h1-58H.

What are the key properties of 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole?

9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 1251.51 g/mol, XLogP of 22.59, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[6-[2-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 142555778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).