2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine

C48H36N2 — CID 176794256

IUPAC2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4-c4cc6ccccc6cc4C54CCCCC4)c4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H36N2/c1-4-15-32(16-5-1)44-31-45(50-47(49-44)33-17-6-2-7-18-33)39-26-25-38(36-21-10-11-22-37(36)39)40-23-14-24-42-46(40)41-29-34-19-8-9-20-35(34)30-43(41)48(42)27-12-3-13-28-48/h1-2,4-11,14-26,29-31H,3,12-13,27-28H2
InChIKeyXBDJEUCCMDAKNS-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.68
Rot. Bonds4

About 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine

2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine (PubChem CID 176794256) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine
PubChem CID176794256
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4-c4cc6ccccc6cc4C54CCCCC4)c4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H36N2/c1-4-15-32(16-5-1)44-31-45(50-47(49-44)33-17-6-2-7-18-33)39-26-25-38(36-21-10-11-22-37(36)39)40-23-14-24-42-46(40)41-29-34-19-8-9-20-35(34)30-43(41)48(42)27-12-3-13-28-48/h1-2,4-11,14-26,29-31H,3,12-13,27-28H2
InChIKeyXBDJEUCCMDAKNS-UHFFFAOYSA-N
XLogP12.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine
CID 176793436
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine
CID 159421196
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 176795380
2,4-diphenyl-6-[4-(2-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)naphthalen-1-yl]pyrimidine
CID 176795363
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793652
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302
2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 159060876
4-[2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 176794007
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(1-phenylnaphthalen-2-yl)naphthalen-1-yl]pyrimidine
CID 176794045
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine (CID 176794256) is 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5c4-c4cc6ccccc6cc4C54CCCCC4)c4ccccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine?
The InChIKey is XBDJEUCCMDAKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-4-15-32(16-5-1)44-31-45(50-47(49-44)33-17-6-2-7-18-33)39-26-25-38(36-21-10-11-22-37(36)39)40-23-14-24-42-46(40)41-29-34-19-8-9-20-35(34)30-43(41)48(42)27-12-3-13-28-48/h1-2,4-11,14-26,29-31H,3,12-13,27-28H2.
What are the key properties of 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine?
2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine has a molecular weight of 640.83 g/mol, XLogP of 12.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176794256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).