8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene

C14H10N2 — CID 56982993

IUPAC8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
SMILESC1=Cc2c3c4ccc2=C(/C=N\C1)CC(=C3)N=4
InChIInChI=1S/C14H10N2/c1-2-12-11-3-4-14-13(12)7-10(16-14)6-9(11)8-15-5-1/h1-4,7-8H,5-6H2/b2-1?,15-8-
InChIKeyKYKVZXQKBORIQZ-FPLHAZIMSA-N
MW206.25 g/mol
LogP1.31
Rot. Bonds

About 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene

8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene (PubChem CID 56982993) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene.

Molecular Properties

Compound Name8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
PubChem CID56982993
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
SMILESC1=Cc2c3c4ccc2=C(/C=N\C1)CC(=C3)N=4
InChIInChI=1S/C14H10N2/c1-2-12-11-3-4-14-13(12)7-10(16-14)6-9(11)8-15-5-1/h1-4,7-8H,5-6H2/b2-1?,15-8-
InChIKeyKYKVZXQKBORIQZ-FPLHAZIMSA-N
XLogP1.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
The IUPAC name of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene (CID 56982993) is 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene.
What is the SMILES notation for 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
The canonical SMILES for 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene is C1=Cc2c3c4ccc2=C(/C=N\C1)CC(=C3)N=4.
What is the InChIKey of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
The InChIKey is KYKVZXQKBORIQZ-FPLHAZIMSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-12-11-3-4-14-13(12)7-10(16-14)6-9(11)8-15-5-1/h1-4,7-8H,5-6H2/b2-1?,15-8-.
What are the key properties of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene has a molecular weight of 206.25 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene is sourced from PubChem (CID 56982993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).