6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine

C46H33N3O — CID 155443070

IUPAC6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine
SMILESC1=CCNC(C2=CC(c3ccccc3)=NC(c3ccccc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)N2)=C1
InChIInChI=1S/C46H33N3O/c1-2-14-30(15-3-1)41-29-42(40-23-12-13-27-47-40)49-45(48-41)35-19-5-4-16-32(35)31-25-26-39-44(28-31)50-43-24-11-10-22-38(43)46(39)36-20-8-6-17-33(36)34-18-7-9-21-37(34)46/h1-26,28-29,45,47,49H,27H2
InChIKeyRUVDGBZNQDDRMC-UHFFFAOYSA-N
MW643.79 g/mol
LogP9.84
Rot. Bonds4

About 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine

6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine (PubChem CID 155443070) has the molecular formula C46H33N3O and a molecular weight of 643.79 g/mol. Its IUPAC name is 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine
PubChem CID155443070
Molecular FormulaC46H33N3O
Molecular Weight643.79 g/mol
Exact Mass643.26
IUPAC Name6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine
SMILESC1=CCNC(C2=CC(c3ccccc3)=NC(c3ccccc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)N2)=C1
InChIInChI=1S/C46H33N3O/c1-2-14-30(15-3-1)41-29-42(40-23-12-13-27-47-40)49-45(48-41)35-19-5-4-16-32(35)31-25-26-39-44(28-31)50-43-24-11-10-22-38(43)46(39)36-20-8-6-17-33(36)34-18-7-9-21-37(34)46/h1-26,28-29,45,47,49H,27H2
InChIKeyRUVDGBZNQDDRMC-UHFFFAOYSA-N
XLogP9.84
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-dihydropyridin-6-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389212
4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
CID 118861117
4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
CID 155443287
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine
CID 118860933
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
CID 118860801
2-[3-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4'-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 118861107
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
CID 146184521
CID 146184521
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine?
The IUPAC name of 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine (CID 155443070) is 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine is C1=CCNC(C2=CC(c3ccccc3)=NC(c3ccccc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)N2)=C1.
What is the InChIKey of 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine?
The InChIKey is RUVDGBZNQDDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3O/c1-2-14-30(15-3-1)41-29-42(40-23-12-13-27-47-40)49-45(48-41)35-19-5-4-16-32(35)31-25-26-39-44(28-31)50-43-24-11-10-22-38(43)46(39)36-20-8-6-17-33(36)34-18-7-9-21-37(34)46/h1-26,28-29,45,47,49H,27H2.
What are the key properties of 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine?
6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine has a molecular weight of 643.79 g/mol, XLogP of 9.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 155443070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).