4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile

C46H36N2 — CID 168798658

IUPAC4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C46H36N2/c47-28-29-11-13-32(14-12-29)35-16-18-42-41(24-35)40-17-15-36(25-43(40)46(42)38-20-30-19-31(22-38)23-39(46)21-30)37-26-44(33-7-3-1-4-8-33)48-45(27-37)34-9-5-2-6-10-34/h1-18,24-27,30-31,38-39H,19-23H2
InChIKeyXZUMUFLNIHBFGD-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.34
Rot. Bonds4

About 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile

4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile (PubChem CID 168798658) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile.

Molecular Properties

Compound Name4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
PubChem CID168798658
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc2C32C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C46H36N2/c47-28-29-11-13-32(14-12-29)35-16-18-42-41(24-35)40-17-15-36(25-43(40)46(42)38-20-30-19-31(22-38)23-39(46)21-30)37-26-44(33-7-3-1-4-8-33)48-45(27-37)34-9-5-2-6-10-34/h1-18,24-27,30-31,38-39H,19-23H2
InChIKeyXZUMUFLNIHBFGD-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

Analyze 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6'-[4-[2-(3-methylphenyl)-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
CID 168798695
4-[7'-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile
CID 168798490
4-[7'-[4-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]benzonitrile
CID 168798705
7'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798400
7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-carbonitrile
CID 168798424
7'-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798677
4-(4'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)benzonitrile
CID 168798414
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
2-[7'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine
CID 164818888
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047

Frequently Asked Questions

What is the IUPAC name of 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile?
The IUPAC name of 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile (CID 168798658) is 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile.
What is the SMILES notation for 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile?
The canonical SMILES for 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)-c2ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc2C32C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile?
The InChIKey is XZUMUFLNIHBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c47-28-29-11-13-32(14-12-29)35-16-18-42-41(24-35)40-17-15-36(25-43(40)46(42)38-20-30-19-31(22-38)23-39(46)21-30)37-26-44(33-7-3-1-4-8-33)48-45(27-37)34-9-5-2-6-10-34/h1-18,24-27,30-31,38-39H,19-23H2.
What are the key properties of 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile?
4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile 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 4-[7'-(2,6-diphenyl-4-pyridinyl)spiro[adamantane-2,9'-fluorene]-3'-yl]benzonitrile is sourced from PubChem (CID 168798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).