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14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene

C14H10N2 — CID 155529132

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene
SMILESc1ccc2c(c1)Cc1cccc3[nH]nc-2c13
InChIInChI=1S/C14H10N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-13(10)14(11)16-15-12/h1-7H,8H2,(H,15,16)
InChIKeySLMJDPXFWRYMLU-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.13
Rot. Bonds

About 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene

14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene (PubChem CID 155529132) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene.

Molecular Properties

Compound Name14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene
PubChem CID155529132
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene
SMILESc1ccc2c(c1)Cc1cccc3[nH]nc-2c13
InChIInChI=1S/C14H10N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-13(10)14(11)16-15-12/h1-7H,8H2,(H,15,16)
InChIKeySLMJDPXFWRYMLU-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene?
The IUPAC name of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene (CID 155529132) is 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene.
What is the SMILES notation for 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene?
The canonical SMILES for 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene is c1ccc2c(c1)Cc1cccc3[nH]nc-2c13.
What is the InChIKey of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene?
The InChIKey is SLMJDPXFWRYMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-13(10)14(11)16-15-12/h1-7H,8H2,(H,15,16).
What are the key properties of 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene?
14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene has a molecular weight of 206.25 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene is sourced from PubChem (CID 155529132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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