2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile

C33H19N3O — CID 118397550

IUPAC2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3cc4oc5cc(-c6ccccc6)ccc5c4c4ccccc34)cn2)c1
InChIInChI=1S/C33H19N3O/c34-19-21-14-15-35-30(16-21)29-13-11-24(20-36-29)28-18-32-33(26-9-5-4-8-25(26)28)27-12-10-23(17-31(27)37-32)22-6-2-1-3-7-22/h1-18,20H
InChIKeyYVLOTBSJIBKFRW-UHFFFAOYSA-N
MW473.54 g/mol
LogP8.40
Rot. Bonds3

About 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile

2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile (PubChem CID 118397550) has the molecular formula C33H19N3O and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
PubChem CID118397550
Molecular FormulaC33H19N3O
Molecular Weight473.54 g/mol
Exact Mass473.15
IUPAC Name2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3cc4oc5cc(-c6ccccc6)ccc5c4c4ccccc34)cn2)c1
InChIInChI=1S/C33H19N3O/c34-19-21-14-15-35-30(16-21)29-13-11-24(20-36-29)28-18-32-33(26-9-5-4-8-25(26)28)27-12-10-23(17-31(27)37-32)22-6-2-1-3-7-22/h1-18,20H
InChIKeyYVLOTBSJIBKFRW-UHFFFAOYSA-N
XLogP8.40
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[15-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]-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]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397792
2-[5-[9-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]pyridine-4-carbonitrile
CID 126542247
2-[5-(7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397522
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
4-(6-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)pyridine-2-carbonitrile;2-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-4-carbonitrile;4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-2-carbonitrile;5-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyridine-3-carbonitrile
CID 158486863
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile
CID 174304337
2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397435
2-[3-[15-[3-(4-isocyano-2-pyridinyl)phenyl]-12-oxapentacyclo[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-4-carbonitrile
CID 140769347
2-[6-[10-[5-(4-isocyano-2-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]pyridine-4-carbonitrile
CID 140769539

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile (CID 118397550) is 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccc(-c3cc4oc5cc(-c6ccccc6)ccc5c4c4ccccc34)cn2)c1.
What is the InChIKey of 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The InChIKey is YVLOTBSJIBKFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N3O/c34-19-21-14-15-35-30(16-21)29-13-11-24(20-36-29)28-18-32-33(26-9-5-4-8-25(26)28)27-12-10-23(17-31(27)37-32)22-6-2-1-3-7-22/h1-18,20H.
What are the key properties of 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile?
2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile has a molecular weight of 473.54 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile is sourced from PubChem (CID 118397550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).