7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile

C46H36N2 — CID 168798424

IUPAC7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile
SMILESN#Cc1cccc2c1C1(c3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H36N2/c47-28-36-15-8-16-41-40-18-17-35(25-42(40)46(45(36)41)38-20-29-19-30(22-38)23-39(46)21-29)33-13-7-14-34(24-33)37-26-43(31-9-3-1-4-10-31)48-44(27-37)32-11-5-2-6-12-32/h1-18,24-27,29-30,38-39H,19-23H2
InChIKeyWPVQEUHTHZXSNR-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.34
Rot. Bonds4

About 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile

7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile (PubChem CID 168798424) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile.

Molecular Properties

Compound Name7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile
PubChem CID168798424
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile
SMILESN#Cc1cccc2c1C1(c3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H36N2/c47-28-36-15-8-16-41-40-18-17-35(25-42(40)46(45(36)41)38-20-29-19-30(22-38)23-39(46)21-29)33-13-7-14-34(24-33)37-26-43(31-9-3-1-4-10-31)48-44(27-37)32-11-5-2-6-12-32/h1-18,24-27,29-30,38-39H,19-23H2
InChIKeyWPVQEUHTHZXSNR-UHFFFAOYSA-N
XLogP11.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methyl-5-(7'-phenylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenylpyridine
CID 164811683
4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
CID 168798705
4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798658
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-[4-[7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]benzonitrile
CID 168798558
4-[6'-[4-[2-(3-methylphenyl)-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
CID 168798695
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7'-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-carbonitrile
CID 168798544
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
7'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798400
4-[7'-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798490
2-[8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798451
7'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile
CID 167269992

Frequently Asked Questions

What is the IUPAC name of 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile?
The IUPAC name of 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile (CID 168798424) is 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile.
What is the SMILES notation for 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile?
The canonical SMILES for 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile is N#Cc1cccc2c1C1(c3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)ccc3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile?
The InChIKey is WPVQEUHTHZXSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c47-28-36-15-8-16-41-40-18-17-35(25-42(40)46(45(36)41)38-20-29-19-30(22-38)23-39(46)21-29)33-13-7-14-34(24-33)37-26-43(31-9-3-1-4-10-31)48-44(27-37)32-11-5-2-6-12-32/h1-18,24-27,29-30,38-39H,19-23H2.
What are the key properties of 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile?
7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile has a molecular weight of 616.81 g/mol, XLogP of 11.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile is sourced from PubChem (CID 168798424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).