13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene

C19H13N3 — CID 144569234

IUPAC13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
SMILESc1ccc(-c2cc3cc4c(nc3[nH]2)[nH]c2ccccc24)cc1
InChIInChI=1S/C19H13N3/c1-2-6-12(7-3-1)17-11-13-10-15-14-8-4-5-9-16(14)20-19(15)22-18(13)21-17/h1-11H,(H2,20,21,22)
InChIKeyPUHSVILOQVIWPB-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.86
Rot. Bonds1

About 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene

13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene (PubChem CID 144569234) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene.

Molecular Properties

Compound Name13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
PubChem CID144569234
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
SMILESc1ccc(-c2cc3cc4c(nc3[nH]2)[nH]c2ccccc24)cc1
InChIInChI=1S/C19H13N3/c1-2-6-12(7-3-1)17-11-13-10-15-14-8-4-5-9-16(14)20-19(15)22-18(13)21-17/h1-11H,(H2,20,21,22)
InChIKeyPUHSVILOQVIWPB-UHFFFAOYSA-N
XLogP4.86
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene 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

14-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),13-heptaene
CID 144569238
3-bromo-2-methyl-9H-pyrido[2,3-b]indole
CID 141493017
6-phenyl-5H-benzo[b]carbazole
CID 10756140
9H-carbazole;9,10-diphenylanthracene
CID 159841164
7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione
CID 10562783
9H-carbazole
CID 66668984
4-bromo-2-phenyl-1H-indole
CID 15151163
3-chloro-9H-pyrido[2,3-b]indole
CID 158959947
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
4,9-diphenyl-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
CID 164666039
3-methyl-9H-pyrido[2,3-b]indole
CID 12596583
2-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11480986

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
The IUPAC name of 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene (CID 144569234) is 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene.
What is the SMILES notation for 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
The canonical SMILES for 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene is c1ccc(-c2cc3cc4c(nc3[nH]2)[nH]c2ccccc24)cc1.
What is the InChIKey of 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
The InChIKey is PUHSVILOQVIWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c1-2-6-12(7-3-1)17-11-13-10-15-14-8-4-5-9-16(14)20-19(15)22-18(13)21-17/h1-11H,(H2,20,21,22).
What are the key properties of 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene has a molecular weight of 283.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene is sourced from PubChem (CID 144569234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).