14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene

C29H26N4 — CID 140813313

IUPAC14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene
SMILESCc1cccc(C)c1-n1cc2nc1Cc1cccc(c1)-c1nc(cn1C)Cc1cccc-2c1
InChIInChI=1S/C29H26N4/c1-19-7-4-8-20(2)28(19)33-18-26-23-11-5-9-21(13-23)15-25-17-32(3)29(30-25)24-12-6-10-22(14-24)16-27(33)31-26/h4-14,17-18H,15-16H2,1-3H3
InChIKeyUDLHGHJFLZSTQV-UHFFFAOYSA-N
MW430.56 g/mol
LogP6.05
Rot. Bonds1

About 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene

14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene (PubChem CID 140813313) has the molecular formula C29H26N4 and a molecular weight of 430.56 g/mol. Its IUPAC name is 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene.

Molecular Properties

Compound Name14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene
PubChem CID140813313
Molecular FormulaC29H26N4
Molecular Weight430.56 g/mol
Exact Mass430.22
IUPAC Name14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene
SMILESCc1cccc(C)c1-n1cc2nc1Cc1cccc(c1)-c1nc(cn1C)Cc1cccc-2c1
InChIInChI=1S/C29H26N4/c1-19-7-4-8-20(2)28(19)33-18-26-23-11-5-9-21(13-23)15-25-17-32(3)29(30-25)24-12-6-10-22(14-24)16-27(33)31-26/h4-14,17-18H,15-16H2,1-3H3
InChIKeyUDLHGHJFLZSTQV-UHFFFAOYSA-N
XLogP6.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene?
The IUPAC name of 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene (CID 140813313) is 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene.
What is the SMILES notation for 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene?
The canonical SMILES for 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene is Cc1cccc(C)c1-n1cc2nc1Cc1cccc(c1)-c1nc(cn1C)Cc1cccc-2c1.
What is the InChIKey of 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene?
The InChIKey is UDLHGHJFLZSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4/c1-19-7-4-8-20(2)28(19)33-18-26-23-11-5-9-21(13-23)15-25-17-32(3)29(30-25)24-12-6-10-22(14-24)16-27(33)31-26/h4-14,17-18H,15-16H2,1-3H3.
What are the key properties of 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene?
14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene has a molecular weight of 430.56 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2,6-dimethylphenyl)-3-methyl-3,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(20),2(24),4,7(23),8,10,12,15(22),17(21),18-decaene is sourced from PubChem (CID 140813313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).