10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C25H19N3 — CID 12780582

IUPAC10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C)c3nc21
InChIInChI=1S/C25H19N3/c1-27-19-14-8-6-12-17(19)22-21(16-10-4-3-5-11-16)23-18-13-7-9-15-20(18)28(2)25(23)26-24(22)27/h3-15H,1-2H3
InChIKeyBYSKHIGXRPSMCB-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.04
Rot. Bonds1

About 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 12780582) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID12780582
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C)c3nc21
InChIInChI=1S/C25H19N3/c1-27-19-14-8-6-12-17(19)22-21(16-10-4-3-5-11-16)23-18-13-7-9-15-20(18)28(2)25(23)26-24(22)27/h3-15H,1-2H3
InChIKeyBYSKHIGXRPSMCB-UHFFFAOYSA-N
XLogP6.04
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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

Launch Full Analysis

Related Compounds

11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
1-methyl-2,3-diphenylindole
CID 11426096
2-iodo-1-methyl-3-phenylindole
CID 76846489
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
14-methyl-11-phenyl-3,10,12,14-tetrazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4910195
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321
10-methyl-2-phenyl-3-propylpyrimido[4,5-b]quinoline-4,5-dione
CID 4894058
1,4-dimethyl-2H-pyrazolo[3,4-b]indole
CID 134515346
1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole
CID 162696132

Frequently Asked Questions

What is the IUPAC name of 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 12780582) is 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cn1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C)c3nc21.
What is the InChIKey of 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is BYSKHIGXRPSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-27-19-14-8-6-12-17(19)22-21(16-10-4-3-5-11-16)23-18-13-7-9-15-20(18)28(2)25(23)26-24(22)27/h3-15H,1-2H3.
What are the key properties of 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 361.45 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 12780582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).