2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]

C93H58N6 — CID 88917355

About 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]

2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] (PubChem CID 88917355) has the molecular formula C93H58N6 and a molecular weight of 1259.53 g/mol. Its IUPAC name is 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole].

Molecular Properties

• Compound Name: 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
• PubChem CID: 88917355
• Molecular Formula: C93H58N6
• Molecular Weight: 1259.53 g/mol
• Exact Mass: 1258.47
• IUPAC Name: 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ncccn4)C4(c5ccccc5-6)c5ccccc5-c5cc6c7cc(-c8cccc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)c8)ccc7n(-c7ncccn7)c6cc54)c3)c2)cc1
• InChI: InChI=1S/C93H58N6/c1-5-21-59(22-6-1)69-47-70(60-23-7-2-8-24-60)50-73(49-69)65-31-17-29-63(45-65)67-37-39-87-79(53-67)81-55-77-75-33-13-15-35-83(75)93(85(77)57-89(81)98(87)91-94-41-19-42-95-91)84-36-16-14-34-76(84)78-56-82-80-54-68(38-40-88(80)99(90(82)58-86(78)93)92-96-43-20-44-97-92)64-30-18-32-66(46-64)74-51-71(61-25-9-3-10-26-61)48-72(52-74)62-27-11-4-12-28-62/h1-58H
• InChIKey: JBMYMAXFERJOKT-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1259.53
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?

The IUPAC name of 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] (CID 88917355) is 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole].

What is the SMILES notation for 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?

The canonical SMILES for 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ncccn4)C4(c5ccccc5-6)c5ccccc5-c5cc6c7cc(-c8cccc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)c8)ccc7n(-c7ncccn7)c6cc54)c3)c2)cc1.

What is the InChIKey of 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?

The InChIKey is JBMYMAXFERJOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H58N6/c1-5-21-59(22-6-1)69-47-70(60-23-7-2-8-24-60)50-73(49-69)65-31-17-29-63(45-65)67-37-39-87-79(53-67)81-55-77-75-33-13-15-35-83(75)93(85(77)57-89(81)98(87)91-94-41-19-42-95-91)84-36-16-14-34-76(84)78-56-82-80-54-68(38-40-88(80)99(90(82)58-86(78)93)92-96-43-20-44-97-92)64-30-18-32-66(46-64)74-51-71(61-25-9-3-10-26-61)48-72(52-74)62-27-11-4-12-28-62/h1-58H.

What are the key properties of 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?

2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] has a molecular weight of 1259.53 g/mol, XLogP of 23.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] is sourced from PubChem (CID 88917355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).