4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine

C50H36N2 — CID 146663925

IUPAC4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
SMILESCC(C)c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C50H36N2/c1-32(2)35-28-36(33-16-5-3-6-17-33)30-37(29-35)47-31-46(34-18-7-4-8-19-34)51-49(52-47)41-23-15-27-45-48(41)40-22-11-14-26-44(40)50(45)42-24-12-9-20-38(42)39-21-10-13-25-43(39)50/h3-32H,1-2H3
InChIKeyYBRKTZJLHJZXEX-UHFFFAOYSA-N
MW664.85 g/mol
LogP12.61
Rot. Bonds5

About 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine

4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine (PubChem CID 146663925) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
PubChem CID146663925
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
SMILESCC(C)c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C50H36N2/c1-32(2)35-28-36(33-16-5-3-6-17-33)30-37(29-35)47-31-46(34-18-7-4-8-19-34)51-49(52-47)41-23-15-27-45-48(41)40-22-11-14-26-44(40)50(45)42-24-12-9-20-38(42)39-21-10-13-25-43(39)50/h3-32H,1-2H3
InChIKeyYBRKTZJLHJZXEX-UHFFFAOYSA-N
XLogP12.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 153287651
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 153287675
4-phenyl-2-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 153287780
4-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537023
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
2-(3,5-diphenylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 159713077
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648936

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
The IUPAC name of 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine (CID 146663925) is 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine.
What is the SMILES notation for 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
The canonical SMILES for 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine is CC(C)c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)c1.
What is the InChIKey of 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
The InChIKey is YBRKTZJLHJZXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-32(2)35-28-36(33-16-5-3-6-17-33)30-37(29-35)47-31-46(34-18-7-4-8-19-34)51-49(52-47)41-23-15-27-45-48(41)40-22-11-14-26-44(40)50(45)42-24-12-9-20-38(42)39-21-10-13-25-43(39)50/h3-32H,1-2H3.
What are the key properties of 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine?
4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine has a molecular weight of 664.85 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine is sourced from PubChem (CID 146663925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).