10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene

C30H20N4 — CID 129254941

IUPAC10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
SMILESC1=Cc2cc3c4ccccc4n(-c4ccccn4)c3cc2N(c2ccccn2)c2ccccc21
InChIInChI=1S/C30H20N4/c1-3-11-25-21(9-1)15-16-22-19-24-23-10-2-4-12-26(23)34(30-14-6-8-18-32-30)28(24)20-27(22)33(25)29-13-5-7-17-31-29/h1-20H
InChIKeyPSWGLOUDBAXLOX-UHFFFAOYSA-N
MW436.52 g/mol
LogP7.53
Rot. Bonds2

About 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene

10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene (PubChem CID 129254941) has the molecular formula C30H20N4 and a molecular weight of 436.52 g/mol. Its IUPAC name is 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene.

Molecular Properties

Compound Name10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
PubChem CID129254941
Molecular FormulaC30H20N4
Molecular Weight436.52 g/mol
Exact Mass436.17
IUPAC Name10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
SMILESC1=Cc2cc3c4ccccc4n(-c4ccccn4)c3cc2N(c2ccccn2)c2ccccc21
InChIInChI=1S/C30H20N4/c1-3-11-25-21(9-1)15-16-22-19-24-23-10-2-4-12-26(23)34(30-14-6-8-18-32-30)28(24)20-27(22)33(25)29-13-5-7-17-31-29/h1-20H
InChIKeyPSWGLOUDBAXLOX-UHFFFAOYSA-N
XLogP7.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
The IUPAC name of 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene (CID 129254941) is 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene.
What is the SMILES notation for 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
The canonical SMILES for 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene is C1=Cc2cc3c4ccccc4n(-c4ccccn4)c3cc2N(c2ccccn2)c2ccccc21.
What is the InChIKey of 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
The InChIKey is PSWGLOUDBAXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4/c1-3-11-25-21(9-1)15-16-22-19-24-23-10-2-4-12-26(23)34(30-14-6-8-18-32-30)28(24)20-27(22)33(25)29-13-5-7-17-31-29/h1-20H.
What are the key properties of 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene?
10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene has a molecular weight of 436.52 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene is sourced from PubChem (CID 129254941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).