phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone

C26H19N3O — CID 155936570

IUPACphenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone
SMILESO=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)n2c(nc3ccccc32)-c2cccn21
InChIInChI=1S/C26H19N3O/c30-25(19-12-5-2-6-13-19)24-23(18-10-3-1-4-11-18)29-21-15-8-7-14-20(21)27-26(29)22-16-9-17-28(22)24/h1-17,23-24H/t23-,24+/m0/s1
InChIKeyWRHRVWFXMFXLOS-BJKOFHAPSA-N
MW389.46 g/mol
LogP5.53
Rot. Bonds3

About phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone

phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone (PubChem CID 155936570) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone.

Molecular Properties

Compound Namephenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone
PubChem CID155936570
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Namephenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone
SMILESO=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)n2c(nc3ccccc32)-c2cccn21
InChIInChI=1S/C26H19N3O/c30-25(19-12-5-2-6-13-19)24-23(18-10-3-1-4-11-18)29-21-15-8-7-14-20(21)27-26(29)22-16-9-17-28(22)24/h1-17,23-24H/t23-,24+/m0/s1
InChIKeyWRHRVWFXMFXLOS-BJKOFHAPSA-N
XLogP5.53
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone?
The IUPAC name of phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone (CID 155936570) is phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone.
What is the SMILES notation for phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone?
The canonical SMILES for phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone is O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)n2c(nc3ccccc32)-c2cccn21.
What is the InChIKey of phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone?
The InChIKey is WRHRVWFXMFXLOS-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H19N3O/c30-25(19-12-5-2-6-13-19)24-23(18-10-3-1-4-11-18)29-21-15-8-7-14-20(21)27-26(29)22-16-9-17-28(22)24/h1-17,23-24H/t23-,24+/m0/s1.
What are the key properties of phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone?
phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(7R,8S)-8-phenyl-6,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,4,10,12,14-hexaen-7-yl]methanone is sourced from PubChem (CID 155936570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).