(3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C18H12N6 — CID 91870138

IUPAC(3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=c2/cccn/c2=N/C=c2/cccn/c2=N/C=c2/cccn/c2=N/1
InChIInChI=1S/C18H12N6/c1-4-13-10-22-17-15(6-3-8-20-17)12-24-18-14(5-2-9-21-18)11-23-16(13)19-7-1/h1-12H/b13-10-,14-11-,15-12-,22-10-,22-17+,23-11-,23-16+,24-12-,24-18+
InChIKeyHQPOMQZRHOLJAN-UALWBADTSA-N
MW312.34 g/mol
LogP-1.64
Rot. Bonds

About (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

(3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 91870138) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name(3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID91870138
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name(3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=c2/cccn/c2=N/C=c2/cccn/c2=N/C=c2/cccn/c2=N/1
InChIInChI=1S/C18H12N6/c1-4-13-10-22-17-15(6-3-8-20-17)12-24-18-14(5-2-9-21-18)11-23-16(13)19-7-1/h1-12H/b13-10-,14-11-,15-12-,22-10-,22-17+,23-11-,23-16+,24-12-,24-18+
InChIKeyHQPOMQZRHOLJAN-UALWBADTSA-N
XLogP-1.64
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

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CID 134980792
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(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
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2,3-Dimethylidene-1,8-naphthyridine
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CID 91539100
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N-methyl-3-propan-2-ylidenepyridin-2-imine
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Frequently Asked Questions

What is the IUPAC name of (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 91870138) is (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is C1=c2/cccn/c2=N/C=c2/cccn/c2=N/C=c2/cccn/c2=N/1.
What is the InChIKey of (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is HQPOMQZRHOLJAN-UALWBADTSA-N. The full InChI is InChI=1S/C18H12N6/c1-4-13-10-22-17-15(6-3-8-20-17)12-24-18-14(5-2-9-21-18)11-23-16(13)19-7-1/h1-12H/b13-10-,14-11-,15-12-,22-10-,22-17+,23-11-,23-16+,24-12-,24-18+.
What are the key properties of (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
(3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 312.34 g/mol, XLogP of -1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,11Z,19Z)-2,8,10,16,18,24-hexazatetracyclo[18.4.0.04,9.012,17]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 91870138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).