2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene

C26H21N — CID 122432558

IUPAC2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
SMILESc1ccc(N2c3ccccc3Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C26H21N/c1-2-14-24(15-3-1)27-25-16-8-6-12-22(25)18-20-10-4-5-11-21(20)19-23-13-7-9-17-26(23)27/h1-17H,18-19H2
InChIKeyDJRYLPOXUYCONC-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.65
Rot. Bonds1

About 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene

2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene (PubChem CID 122432558) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene.

Molecular Properties

Compound Name2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
PubChem CID122432558
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
SMILESc1ccc(N2c3ccccc3Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C26H21N/c1-2-14-24(15-3-1)27-25-16-8-6-12-22(25)18-20-10-4-5-11-21(20)19-23-13-7-9-17-26(23)27/h1-17H,18-19H2
InChIKeyDJRYLPOXUYCONC-UHFFFAOYSA-N
XLogP6.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene?
The IUPAC name of 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene (CID 122432558) is 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene.
What is the SMILES notation for 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene?
The canonical SMILES for 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene is c1ccc(N2c3ccccc3Cc3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene?
The InChIKey is DJRYLPOXUYCONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-2-14-24(15-3-1)27-25-16-8-6-12-22(25)18-20-10-4-5-11-21(20)19-23-13-7-9-17-26(23)27/h1-17H,18-19H2.
What are the key properties of 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene?
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene has a molecular weight of 347.46 g/mol, XLogP of 6.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene is sourced from PubChem (CID 122432558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).