10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

C63H45N3 — CID 129263317

About 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 129263317) has the molecular formula C63H45N3 and a molecular weight of 844.07 g/mol. Its IUPAC name is 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 129263317
• Molecular Formula: C63H45N3
• Molecular Weight: 844.07 g/mol
• Exact Mass: 843.36
• IUPAC Name: 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
• SMILES: C1=CC2=C(c3ccc(-c4ccccc4)cc3)NC(c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)c4)c3)NC2C=C1
• InChI: InChI=1S/C63H45N3/c1-3-17-42(18-4-1)43-33-35-44(36-34-43)61-53-26-8-12-30-58(53)64-62(65-61)49-22-16-21-47(40-49)45-19-15-20-46(39-45)48-37-38-52-51-25-7-9-27-54(51)63(57(52)41-48)55-28-10-13-31-59(55)66(50-23-5-2-6-24-50)60-32-14-11-29-56(60)63/h1-41,58,62,64-65H
• InChIKey: GHNVQCONVXGIJF-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 27.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.07
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (CID 129263317) is 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is C1=CC2=C(c3ccc(-c4ccccc4)cc3)NC(c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)c4)c3)NC2C=C1.

What is the InChIKey of 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is GHNVQCONVXGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3/c1-3-17-42(18-4-1)43-33-35-44(36-34-43)61-53-26-8-12-30-58(53)64-62(65-61)49-22-16-21-47(40-49)45-19-15-20-46(39-45)48-37-38-52-51-25-7-9-27-54(51)63(57(52)41-48)55-28-10-13-31-59(55)66(50-23-5-2-6-24-50)60-32-14-11-29-56(60)63/h1-41,58,62,64-65H.

What are the key properties of 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?

10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 844.07 g/mol, XLogP of 14.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-2'-[3-[3-[4-(4-phenylphenyl)-1,2,3,8a-tetrahydroquinazolin-2-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).