17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene

C29H22N2 — CID 70887310

IUPAC17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene
SMILESCC1c2cccc(c2)-c2nc3cccc4c3n2-c2c1cc(-c1ccccc1)cc2C4C
InChIInChI=1S/C29H22N2/c1-17-20-10-6-11-21(14-20)29-30-26-13-7-12-23-18(2)25-16-22(19-8-4-3-5-9-19)15-24(17)27(25)31(29)28(23)26/h3-18H,1-2H3
InChIKeyFNBJOSCMYZWJOU-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.29
Rot. Bonds1

About 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene

17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene (PubChem CID 70887310) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene.

Molecular Properties

Compound Name17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene
PubChem CID70887310
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene
SMILESCC1c2cccc(c2)-c2nc3cccc4c3n2-c2c1cc(-c1ccccc1)cc2C4C
InChIInChI=1S/C29H22N2/c1-17-20-10-6-11-21(14-20)29-30-26-13-7-12-23-18(2)25-16-22(19-8-4-3-5-9-19)15-24(17)27(25)31(29)28(23)26/h3-18H,1-2H3
InChIKeyFNBJOSCMYZWJOU-UHFFFAOYSA-N
XLogP7.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene?
The IUPAC name of 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene (CID 70887310) is 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene.
What is the SMILES notation for 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene?
The canonical SMILES for 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene is CC1c2cccc(c2)-c2nc3cccc4c3n2-c2c1cc(-c1ccccc1)cc2C4C.
What is the InChIKey of 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene?
The InChIKey is FNBJOSCMYZWJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-17-20-10-6-11-21(14-20)29-30-26-13-7-12-23-18(2)25-16-22(19-8-4-3-5-9-19)15-24(17)27(25)31(29)28(23)26/h3-18H,1-2H3.
What are the key properties of 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene?
17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene has a molecular weight of 398.51 g/mol, XLogP of 7.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,23-dimethyl-14-phenyl-3,10-diazahexacyclo[16.3.1.18,12.02,10.04,9.011,16]tricosa-1(22),2,4,6,8,11(16),12,14,18,20-decaene is sourced from PubChem (CID 70887310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).