2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

C65H44N2 — CID 129263212

About 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 129263212) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 129263212
• Molecular Formula: C65H44N2
• Molecular Weight: 853.08 g/mol
• Exact Mass: 852.35
• IUPAC Name: 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: C1=C(c2ccccc2)[C@H](c2cccc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)c4)c3)c2)N=C1c1ccccc1
• InChI: InChI=1S/C65H44N2/c1-4-19-44(20-5-1)56-43-61(45-21-6-2-7-22-45)66-64(56)52-28-18-27-50(41-52)48-25-16-23-46(39-48)47-24-17-26-49(40-47)51-37-38-55-54-31-10-11-32-57(54)65(60(55)42-51)58-33-12-14-35-62(58)67(53-29-8-3-9-30-53)63-36-15-13-34-59(63)65/h1-43,64H/t64-/m0/s1
• InChIKey: UOGRJYDNSMQQHP-JVUALNACSA-N
• XLogP: 16.46
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.08
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 129263212) is 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is C1=C(c2ccccc2)[C@H](c2cccc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)c4)c3)c2)N=C1c1ccccc1.

What is the InChIKey of 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The InChIKey is UOGRJYDNSMQQHP-JVUALNACSA-N. The full InChI is InChI=1S/C65H44N2/c1-4-19-44(20-5-1)56-43-61(45-21-6-2-7-22-45)66-64(56)52-28-18-27-50(41-52)48-25-16-23-46(39-48)47-24-17-26-49(40-47)51-37-38-55-54-31-10-11-32-57(54)65(60(55)42-51)58-33-12-14-35-62(58)67(53-29-8-3-9-30-53)63-36-15-13-34-59(63)65/h1-43,64H/t64-/m0/s1.

What are the key properties of 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 853.08 g/mol, XLogP of 16.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[3-[3-[3-[(2S)-3,5-diphenyl-2H-pyrrol-2-yl]phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).