17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene

C28H19N3 — CID 156902718

IUPAC17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene
SMILESc1ccc(N2c3[nH]c4ccccc4c3-c3ccccc3-c3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C28H19N3/c1-2-10-18(11-3-1)31-27-25(21-14-6-8-16-23(21)29-27)19-12-4-5-13-20(19)26-22-15-7-9-17-24(22)30-28(26)31/h1-17,29-30H
InChIKeyIOYIEZRADOXFQK-UHFFFAOYSA-N
MW397.48 g/mol
LogP7.77
Rot. Bonds1

About 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene

17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene (PubChem CID 156902718) has the molecular formula C28H19N3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene.

Molecular Properties

Compound Name17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene
PubChem CID156902718
Molecular FormulaC28H19N3
Molecular Weight397.48 g/mol
Exact Mass397.16
IUPAC Name17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene
SMILESc1ccc(N2c3[nH]c4ccccc4c3-c3ccccc3-c3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C28H19N3/c1-2-10-18(11-3-1)31-27-25(21-14-6-8-16-23(21)29-27)19-12-4-5-13-20(19)26-22-15-7-9-17-24(22)30-28(26)31/h1-17,29-30H
InChIKeyIOYIEZRADOXFQK-UHFFFAOYSA-N
XLogP7.77
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene with MolForge

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Related Compounds

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4-phenyl-9H-carbazole
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Frequently Asked Questions

What is the IUPAC name of 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene?
The IUPAC name of 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene (CID 156902718) is 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene.
What is the SMILES notation for 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene?
The canonical SMILES for 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene is c1ccc(N2c3[nH]c4ccccc4c3-c3ccccc3-c3c2[nH]c2ccccc32)cc1.
What is the InChIKey of 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene?
The InChIKey is IOYIEZRADOXFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3/c1-2-10-18(11-3-1)31-27-25(21-14-6-8-16-23(21)29-27)19-12-4-5-13-20(19)26-22-15-7-9-17-24(22)30-28(26)31/h1-17,29-30H.
What are the key properties of 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene?
17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene has a molecular weight of 397.48 g/mol, XLogP of 7.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-15,17,19-triazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene is sourced from PubChem (CID 156902718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).