10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

C65H45N3 — CID 129263552

About 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 129263552) has the molecular formula C65H45N3 and a molecular weight of 868.10 g/mol. Its IUPAC name is 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 129263552
• Molecular Formula: C65H45N3
• Molecular Weight: 868.10 g/mol
• Exact Mass: 867.36
• IUPAC Name: 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• SMILES: C1=C(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2)=NC1c1ccc(-c2ccccc2-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C65H45N3/c1-4-18-44(19-5-1)45-32-36-47(37-33-45)60-43-61(67-64(66-60)49-20-6-2-7-21-49)48-38-34-46(35-39-48)52-24-10-11-25-53(52)50-40-41-55-54-26-12-13-27-56(54)65(59(55)42-50)57-28-14-16-30-62(57)68(51-22-8-3-9-23-51)63-31-17-15-29-58(63)65/h1-43,61H,(H,66,67)
• InChIKey: TUALPGSWPGVKEM-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.10
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (CID 129263552) is 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is C1=C(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2)=NC1c1ccc(-c2ccccc2-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.

What is the InChIKey of 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is TUALPGSWPGVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N3/c1-4-18-44(19-5-1)45-32-36-47(37-33-45)60-43-61(67-64(66-60)49-20-6-2-7-21-49)48-38-34-46(35-39-48)52-24-10-11-25-53(52)50-40-41-55-54-26-12-13-27-56(54)65(59(55)42-50)57-28-14-16-30-62(57)68(51-22-8-3-9-23-51)63-31-17-15-29-58(63)65/h1-43,61H,(H,66,67).

What are the key properties of 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 868.10 g/mol, XLogP of 15.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).