2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine

C52H43N — CID 164811683

IUPAC2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C52H43N/c1-33-22-41(29-42(23-33)50-32-40(37-14-7-3-8-15-37)31-49(53-50)38-16-9-4-10-17-38)45-18-11-19-47-46-21-20-39(36-12-5-2-6-13-36)30-48(46)52(51(45)47)43-25-34-24-35(27-43)28-44(52)26-34/h2-23,29-32,34-35,43-44H,24-28H2,1H3
InChIKeyZHXNYPHRZLMRTL-UHFFFAOYSA-N
MW681.92 g/mol
LogP13.45
Rot. Bonds5

About 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine

2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine (PubChem CID 164811683) has the molecular formula C52H43N and a molecular weight of 681.92 g/mol. Its IUPAC name is 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine
PubChem CID164811683
Molecular FormulaC52H43N
Molecular Weight681.92 g/mol
Exact Mass681.34
IUPAC Name2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine
SMILESCc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C52H43N/c1-33-22-41(29-42(23-33)50-32-40(37-14-7-3-8-15-37)31-49(53-50)38-16-9-4-10-17-38)45-18-11-19-47-46-21-20-39(36-12-5-2-6-13-36)30-48(46)52(51(45)47)43-25-34-24-35(27-43)28-44(52)26-34/h2-23,29-32,34-35,43-44H,24-28H2,1H3
InChIKeyZHXNYPHRZLMRTL-UHFFFAOYSA-N
XLogP13.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.92
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile
CID 168798424
2-[3-(9,9-dimethylfluoren-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-pyridin-3-yl-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine;4-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-6-pyridin-3-yl-4-pyridin-4-ylpyridine;2-[3-(4-naphthalen-2-ylphenyl)-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165012414
2-[3-(4-methylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 147428060
4-[6'-[4-[2-(3-methylphenyl)-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
CID 168798695
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-spiro[adamantane-2,9'-fluorene]-2'-yl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-spiro[adamantane-2,9'-fluorene]-2'-yl-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylpyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 165101737
2-[6'-(9,9-dimethylfluoren-1-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168803520
4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
CID 168798705
3-[7'-[3-[2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-1'-yl]benzonitrile
CID 168798686
4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798658
2-(3-fluorophenyl)-4-phenyl-6-[4-(3-spiro[adamantane-2,11'-benzo[h]fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353616
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491
2-phenyl-4-(3-phenylphenyl)-6-[4-(3-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 176794675

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine (CID 164811683) is 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine is Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2cccc3c2C2(c4cc(-c5ccccc5)ccc4-3)C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine?
The InChIKey is ZHXNYPHRZLMRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N/c1-33-22-41(29-42(23-33)50-32-40(37-14-7-3-8-15-37)31-49(53-50)38-16-9-4-10-17-38)45-18-11-19-47-46-21-20-39(36-12-5-2-6-13-36)30-48(46)52(51(45)47)43-25-34-24-35(27-43)28-44(52)26-34/h2-23,29-32,34-35,43-44H,24-28H2,1H3.
What are the key properties of 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine?
2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine has a molecular weight of 681.92 g/mol, XLogP of 13.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 164811683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).