14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C22H14ClN — CID 129092357

IUPAC14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESClc1ccc2c3c(cccc13)N(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C22H14ClN/c23-19-14-13-17-16-9-4-5-11-20(16)24(15-7-2-1-3-8-15)21-12-6-10-18(19)22(17)21/h1-14H
InChIKeyOIQAVLZKUATFHT-UHFFFAOYSA-N
MW327.81 g/mol
LogP6.94
Rot. Bonds1

About 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 129092357) has the molecular formula C22H14ClN and a molecular weight of 327.81 g/mol. Its IUPAC name is 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID129092357
Molecular FormulaC22H14ClN
Molecular Weight327.81 g/mol
Exact Mass327.08
IUPAC Name14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESClc1ccc2c3c(cccc13)N(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C22H14ClN/c23-19-14-13-17-16-9-4-5-11-20(16)24(15-7-2-1-3-8-15)21-12-6-10-18(19)22(17)21/h1-14H
InChIKeyOIQAVLZKUATFHT-UHFFFAOYSA-N
XLogP6.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.81
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 129092357) is 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is Clc1ccc2c3c(cccc13)N(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is OIQAVLZKUATFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN/c23-19-14-13-17-16-9-4-5-11-20(16)24(15-7-2-1-3-8-15)21-12-6-10-18(19)22(17)21/h1-14H.
What are the key properties of 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 327.81 g/mol, XLogP of 6.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 129092357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).