10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]

C46H30N4 — CID 146653899

IUPAC10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)n2)cc1
InChIInChI=1S/C46H30N4/c1-2-16-31(17-3-1)40-30-41(39-25-14-15-29-47-39)49-45(48-40)34-20-6-11-26-42(34)50-43-27-12-9-23-37(43)46(38-24-10-13-28-44(38)50)35-21-7-4-18-32(35)33-19-5-8-22-36(33)46/h1-30H
InChIKeyIKQHINMRDBXOKV-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.02
Rot. Bonds4

About 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]

10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 146653899) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID146653899
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)n2)cc1
InChIInChI=1S/C46H30N4/c1-2-16-31(17-3-1)40-30-41(39-25-14-15-29-47-39)49-45(48-40)34-20-6-11-26-42(34)50-43-27-12-9-23-37(43)46(38-24-10-13-28-44(38)50)35-21-7-4-18-32(35)33-19-5-8-22-36(33)46/h1-30H
InChIKeyIKQHINMRDBXOKV-UHFFFAOYSA-N
XLogP11.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine
CID 146653981
10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
CID 146654706
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995778
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 167177836
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
2'-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263243
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774
10-phenyl-4'-[4-phenyl-3-[4-phenyl-6-[4-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]-3-[4-[6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 167177913
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] (CID 146653899) is 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)n2)cc1.
What is the InChIKey of 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is IKQHINMRDBXOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-2-16-31(17-3-1)40-30-41(39-25-14-15-29-47-39)49-45(48-40)34-20-6-11-26-42(34)50-43-27-12-9-23-37(43)46(38-24-10-13-28-44(38)50)35-21-7-4-18-32(35)33-19-5-8-22-36(33)46/h1-30H.
What are the key properties of 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 638.77 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 146653899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).