7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene

C24H16N2 — CID 90223239

IUPAC7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
SMILESc1ccc(-n2ccc3c4cc5[nH]c6ccccc6c5cc4ccc32)cc1
InChIInChI=1S/C24H16N2/c1-2-6-17(7-3-1)26-13-12-19-20-15-23-21(14-16(20)10-11-24(19)26)18-8-4-5-9-22(18)25-23/h1-15,25H
InChIKeyQUUCRAOSSNXYJN-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.42
Rot. Bonds1

About 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene

7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene (PubChem CID 90223239) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene.

Molecular Properties

Compound Name7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
PubChem CID90223239
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
SMILESc1ccc(-n2ccc3c4cc5[nH]c6ccccc6c5cc4ccc32)cc1
InChIInChI=1S/C24H16N2/c1-2-6-17(7-3-1)26-13-12-19-20-15-23-21(14-16(20)10-11-24(19)26)18-8-4-5-9-22(18)25-23/h1-15,25H
InChIKeyQUUCRAOSSNXYJN-UHFFFAOYSA-N
XLogP6.42
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
The IUPAC name of 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene (CID 90223239) is 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene.
What is the SMILES notation for 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
The canonical SMILES for 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene is c1ccc(-n2ccc3c4cc5[nH]c6ccccc6c5cc4ccc32)cc1.
What is the InChIKey of 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
The InChIKey is QUUCRAOSSNXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-2-6-17(7-3-1)26-13-12-19-20-15-23-21(14-16(20)10-11-24(19)26)18-8-4-5-9-22(18)25-23/h1-15,25H.
What are the key properties of 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene?
7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene has a molecular weight of 332.41 g/mol, XLogP of 6.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene is sourced from PubChem (CID 90223239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).