3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile

C126H72N18 — CID 157064606

IUPAC3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile
SMILES[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(-c5ccnc(C#N)c5)cc4)cc(-c4ccc(-c5ccnc(C#N)c5)cc4)c3)cc2)ccn1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C#N)nc5)cc4)cc(-c4ccc(-c5ccc(C#N)nc5)cc4)c3)cc2)cn1.[C-]#[N+]c1ncccc1-c1ccc(-c2cc(-c3ccc(-c4cccnc4C#N)cc3)cc(-c3ccc(-c4cccnc4C#N)cc3)c2)cc1
InChIInChI=1S/3C42H24N6/c1-45-42-19-16-36(27-48-42)30-6-12-33(13-7-30)39-21-37(31-8-2-28(3-9-31)34-14-17-40(23-43)46-25-34)20-38(22-39)32-10-4-29(5-11-32)35-15-18-41(24-44)47-26-35;1-45-42-25-36(16-19-48-42)30-6-12-33(13-7-30)39-21-37(31-8-2-28(3-9-31)34-14-17-46-40(23-34)26-43)20-38(22-39)32-10-4-29(5-11-32)35-15-18-47-41(24-35)27-44;1-45-42-39(7-4-22-48-42)33-18-12-30(13-19-33)36-24-34(28-8-14-31(15-9-28)37-5-2-20-46-40(37)26-43)23-35(25-36)29-10-16-32(17-11-29)38-6-3-21-47-41(38)27-44/h2-22,25-27H;2*2-25H
InChIKeyABSOQKZUMJYTLL-UHFFFAOYSA-N
MW1838.09 g/mol
LogP30.50
Rot. Bonds18

About 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile

3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile (PubChem CID 157064606) has the molecular formula C126H72N18 and a molecular weight of 1838.09 g/mol. Its IUPAC name is 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile
PubChem CID157064606
Molecular FormulaC126H72N18
Molecular Weight1838.09 g/mol
Exact Mass1836.62
IUPAC Name3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile
SMILES[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(-c5ccnc(C#N)c5)cc4)cc(-c4ccc(-c5ccnc(C#N)c5)cc4)c3)cc2)ccn1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C#N)nc5)cc4)cc(-c4ccc(-c5ccc(C#N)nc5)cc4)c3)cc2)cn1.[C-]#[N+]c1ncccc1-c1ccc(-c2cc(-c3ccc(-c4cccnc4C#N)cc3)cc(-c3ccc(-c4cccnc4C#N)cc3)c2)cc1
InChIInChI=1S/3C42H24N6/c1-45-42-19-16-36(27-48-42)30-6-12-33(13-7-30)39-21-37(31-8-2-28(3-9-31)34-14-17-40(23-43)46-25-34)20-38(22-39)32-10-4-29(5-11-32)35-15-18-41(24-44)47-26-35;1-45-42-25-36(16-19-48-42)30-6-12-33(13-7-30)39-21-37(31-8-2-28(3-9-31)34-14-17-46-40(23-34)26-43)20-38(22-39)32-10-4-29(5-11-32)35-15-18-47-41(24-35)27-44;1-45-42-39(7-4-22-48-42)33-18-12-30(13-19-33)36-24-34(28-8-14-31(15-9-28)37-5-2-20-46-40(37)26-43)23-35(25-36)29-10-16-32(17-11-29)38-6-3-21-47-41(38)27-44/h2-22,25-27H;2*2-25H
InChIKeyABSOQKZUMJYTLL-UHFFFAOYSA-N
XLogP30.50
TPSA271.83 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001838.09
LogP ≤ 530.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile
CID 140769376
4-[7-(2-isocyano-4-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 140769354
5-[3-[4-[3-(6-cyano-3-pyridinyl)phenyl]-6-[3-(6-isocyano-3-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 140769431
4-[4-[15'-[4-(2-isocyano-4-pyridinyl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]pyridine-2-carbonitrile
CID 140769436
4-[4-[15-[4-(2-isocyano-4-pyridinyl)phenyl]-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]pyridine-2-carbonitrile
CID 140769432
5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile
CID 59637224
4-[6-[9-[6-(2-isocyano-4-pyridinyl)-2-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 140769007
4-[4-[21-[4-(2-isocyano-4-pyridinyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-14-yl]phenyl]pyridine-2-carbonitrile
CID 140769307
4-[15'-(2-isocyano-4-pyridinyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]pyridine-2-carbonitrile
CID 140769244
5-[4-[10'-[4-(6-isocyano-3-pyridinyl)phenyl]-9,9'-spirobi[acridine]-10-yl]phenyl]pyridine-2-carbonitrile
CID 153437557
3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
CID 170449856
3-[7-(2-cyano-3-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 118397742

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile (CID 157064606) is 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile is [C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(-c5ccnc(C#N)c5)cc4)cc(-c4ccc(-c5ccnc(C#N)c5)cc4)c3)cc2)ccn1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C#N)nc5)cc4)cc(-c4ccc(-c5ccc(C#N)nc5)cc4)c3)cc2)cn1.[C-]#[N+]c1ncccc1-c1ccc(-c2cc(-c3ccc(-c4cccnc4C#N)cc3)cc(-c3ccc(-c4cccnc4C#N)cc3)c2)cc1.
What is the InChIKey of 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile?
The InChIKey is ABSOQKZUMJYTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H24N6/c1-45-42-19-16-36(27-48-42)30-6-12-33(13-7-30)39-21-37(31-8-2-28(3-9-31)34-14-17-40(23-43)46-25-34)20-38(22-39)32-10-4-29(5-11-32)35-15-18-41(24-44)47-26-35;1-45-42-25-36(16-19-48-42)30-6-12-33(13-7-30)39-21-37(31-8-2-28(3-9-31)34-14-17-46-40(23-34)26-43)20-38(22-39)32-10-4-29(5-11-32)35-15-18-47-41(24-35)27-44;1-45-42-39(7-4-22-48-42)33-18-12-30(13-19-33)36-24-34(28-8-14-31(15-9-28)37-5-2-20-46-40(37)26-43)23-35(25-36)29-10-16-32(17-11-29)38-6-3-21-47-41(38)27-44/h2-22,25-27H;2*2-25H.
What are the key properties of 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile?
3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile has a molecular weight of 1838.09 g/mol, XLogP of 30.50, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;4-[4-[3-[4-(2-cyano-4-pyridinyl)phenyl]-5-[4-(2-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile;5-[4-[3-[4-(6-cyano-3-pyridinyl)phenyl]-5-[4-(6-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 157064606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).