19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene

C22H15N3 — CID 140949740

IUPAC19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene
SMILESC1=CC2C=c3ccccc3=CC2c2c1c1cccnc1c1cncn21
InChIInChI=1S/C22H15N3/c1-2-5-15-11-19-16(10-14(15)4-1)7-8-18-17-6-3-9-24-21(17)20-12-23-13-25(20)22(18)19/h1-13,16,19H
InChIKeyOVNPHKBUDWJRQN-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.88
Rot. Bonds

About 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene

19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene (PubChem CID 140949740) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene.

Molecular Properties

Compound Name19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene
PubChem CID140949740
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene
SMILESC1=CC2C=c3ccccc3=CC2c2c1c1cccnc1c1cncn21
InChIInChI=1S/C22H15N3/c1-2-5-15-11-19-16(10-14(15)4-1)7-8-18-17-6-3-9-24-21(17)20-12-23-13-25(20)22(18)19/h1-13,16,19H
InChIKeyOVNPHKBUDWJRQN-UHFFFAOYSA-N
XLogP2.88
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene with MolForge

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Related Compounds

2,4,8,11,17-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140948494
19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,23-dodecaene
CID 140949547
4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
CID 140949868
17,19,21-triazahexacyclo[12.11.0.03,12.05,10.015,19.020,25]pentacosa-1,3,5,7,9,11,13,15,17,20(25),21,23-dodecaene
CID 140950443
4-methyl-2,3,8,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948940
4,6,8,16,19-pentazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),2,4,7(12),8,10,13,15,17,19-decaene
CID 140949151
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
3-bromo-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 140950757
4-methyl-2,3,8,15-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140950203
8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene
CID 58943947
3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine
CID 137390242

Frequently Asked Questions

What is the IUPAC name of 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene?
The IUPAC name of 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene (CID 140949740) is 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene.
What is the SMILES notation for 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene?
The canonical SMILES for 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene is C1=CC2C=c3ccccc3=CC2c2c1c1cccnc1c1cncn21.
What is the InChIKey of 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene?
The InChIKey is OVNPHKBUDWJRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-2-5-15-11-19-16(10-14(15)4-1)7-8-18-17-6-3-9-24-21(17)20-12-23-13-25(20)22(18)19/h1-13,16,19H.
What are the key properties of 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene?
19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene has a molecular weight of 321.38 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19,23,25-triazahexacyclo[12.11.0.02,11.04,9.015,20.021,25]pentacosa-1(14),3,5,7,9,12,15(20),16,18,21,23-undecaene is sourced from PubChem (CID 140949740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).