(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile

C31H18N4 — CID 170514345

IUPAC(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)-c1cc(C#N)ccc1[C@@]2(c1ccccn1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C31H18N4/c1-33-23-14-16-27-25(19-23)24-18-21(20-32)13-15-26(24)31(27,29-11-5-6-17-34-29)30-12-7-10-28(35-30)22-8-3-2-4-9-22/h2-19H/t31-/m1/s1
InChIKeyLRNUJGHDGZOZMW-WJOKGBTCSA-N
MW446.51 g/mol
LogP6.93
Rot. Bonds3

About (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile

(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile (PubChem CID 170514345) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile.

Molecular Properties

Compound Name(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile
PubChem CID170514345
Molecular FormulaC31H18N4
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile
SMILES[C-]#[N+]c1ccc2c(c1)-c1cc(C#N)ccc1[C@@]2(c1ccccn1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C31H18N4/c1-33-23-14-16-27-25(19-23)24-18-21(20-32)13-15-26(24)31(27,29-11-5-6-17-34-29)30-12-7-10-28(35-30)22-8-3-2-4-9-22/h2-19H/t31-/m1/s1
InChIKeyLRNUJGHDGZOZMW-WJOKGBTCSA-N
XLogP6.93
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-[5-isocyano-2-(2-phenylphenyl)phenyl]-4-(2-phenylphenyl)benzonitrile
CID 58947599
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
3-[6-[9-[6-(3-cyanophenyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]benzonitrile
CID 71261603
4-[4-(6-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 162776134
7'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile;2-[4-[3-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 163968251
10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)acridine
CID 170514521
9,9-dimethyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-2-ylphenyl]fluorene-3-carbonitrile
CID 171421967
2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
CID 140769533
2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
CID 142384952
8-[4-(8-cyanodibenzofuran-2-yl)-6-(8-isocyanodibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;8-[4-(8-cyanodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-carbonitrile;2-[7'-(3-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-(4-isocyanophenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-carbonitrile
CID 160693401
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-carbonitrile
CID 146362194
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-3-carbonitrile
CID 146362493

Frequently Asked Questions

What is the IUPAC name of (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile?
The IUPAC name of (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile (CID 170514345) is (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile.
What is the SMILES notation for (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile?
The canonical SMILES for (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile is [C-]#[N+]c1ccc2c(c1)-c1cc(C#N)ccc1[C@@]2(c1ccccn1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile?
The InChIKey is LRNUJGHDGZOZMW-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H18N4/c1-33-23-14-16-27-25(19-23)24-18-21(20-32)13-15-26(24)31(27,29-11-5-6-17-34-29)30-12-7-10-28(35-30)22-8-3-2-4-9-22/h2-19H/t31-/m1/s1.
What are the key properties of (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile?
(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile is sourced from PubChem (CID 170514345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).