9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene

C19H16N2 — CID 90753385

IUPAC9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene
SMILESC1=CNC2C=CC=CC2=Cc2[nH]c3ccccc3c2C=C1
InChIInChI=1S/C19H16N2/c1-3-10-17-14(7-1)13-19-16(9-5-6-12-20-17)15-8-2-4-11-18(15)21-19/h1-13,17,20-21H
InChIKeyIKAODTIJWULSRW-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.18
Rot. Bonds

About 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene

9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene (PubChem CID 90753385) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene.

Molecular Properties

Compound Name9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene
PubChem CID90753385
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene
SMILESC1=CNC2C=CC=CC2=Cc2[nH]c3ccccc3c2C=C1
InChIInChI=1S/C19H16N2/c1-3-10-17-14(7-1)13-19-16(9-5-6-12-20-17)15-8-2-4-11-18(15)21-19/h1-13,17,20-21H
InChIKeyIKAODTIJWULSRW-UHFFFAOYSA-N
XLogP4.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene?
The IUPAC name of 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene (CID 90753385) is 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene.
What is the SMILES notation for 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene?
The canonical SMILES for 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene is C1=CNC2C=CC=CC2=Cc2[nH]c3ccccc3c2C=C1.
What is the InChIKey of 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene?
The InChIKey is IKAODTIJWULSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-3-10-17-14(7-1)13-19-16(9-5-6-12-20-17)15-8-2-4-11-18(15)21-19/h1-13,17,20-21H.
What are the key properties of 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene?
9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene has a molecular weight of 272.35 g/mol, XLogP of 4.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),2,4,6,10,12,15,17,19-nonaene is sourced from PubChem (CID 90753385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).