(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene

C24H32N4 — CID 101114161

IUPAC(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene
SMILESC/C1=N/CCN[C@H](c2ccccc2)C/C(C)=N\CCN[C@H](c2ccccc2)C1
InChIInChI=1S/C24H32N4/c1-19-17-23(21-9-5-3-6-10-21)27-16-14-26-20(2)18-24(28-15-13-25-19)22-11-7-4-8-12-22/h3-12,23-24,27-28H,13-18H2,1-2H3/b25-19-,26-20-/t23-,24-/m0/s1
InChIKeyFDMSEGADSJCNSD-IBRAQHNDSA-N
MW376.55 g/mol
LogP4.36
Rot. Bonds2

About (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene

(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene (PubChem CID 101114161) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene.

Molecular Properties

Compound Name(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene
PubChem CID101114161
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene
SMILESC/C1=N/CCN[C@H](c2ccccc2)C/C(C)=N\CCN[C@H](c2ccccc2)C1
InChIInChI=1S/C24H32N4/c1-19-17-23(21-9-5-3-6-10-21)27-16-14-26-20(2)18-24(28-15-13-25-19)22-11-7-4-8-12-22/h3-12,23-24,27-28H,13-18H2,1-2H3/b25-19-,26-20-/t23-,24-/m0/s1
InChIKeyFDMSEGADSJCNSD-IBRAQHNDSA-N
XLogP4.36
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene?
The IUPAC name of (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene (CID 101114161) is (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene.
What is the SMILES notation for (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene?
The canonical SMILES for (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene is C/C1=N/CCN[C@H](c2ccccc2)C/C(C)=N\CCN[C@H](c2ccccc2)C1.
What is the InChIKey of (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene?
The InChIKey is FDMSEGADSJCNSD-IBRAQHNDSA-N. The full InChI is InChI=1S/C24H32N4/c1-19-17-23(21-9-5-3-6-10-21)27-16-14-26-20(2)18-24(28-15-13-25-19)22-11-7-4-8-12-22/h3-12,23-24,27-28H,13-18H2,1-2H3/b25-19-,26-20-/t23-,24-/m0/s1.
What are the key properties of (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene?
(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene has a molecular weight of 376.55 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene is sourced from PubChem (CID 101114161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).