13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene

C25H16FN3 — CID 132575232

IUPAC13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene
SMILESFc1ccc2c(c1)Cn1c-2cc2c(-c3ccccc3)nc(-c3ccccc3)nc21
InChIInChI=1S/C25H16FN3/c26-19-11-12-20-18(13-19)15-29-22(20)14-21-23(16-7-3-1-4-8-16)27-24(28-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyQHEMMLIJOSDOMM-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.93
Rot. Bonds2

About 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene

13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene (PubChem CID 132575232) has the molecular formula C25H16FN3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene.

Molecular Properties

Compound Name13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene
PubChem CID132575232
Molecular FormulaC25H16FN3
Molecular Weight377.42 g/mol
Exact Mass377.13
IUPAC Name13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene
SMILESFc1ccc2c(c1)Cn1c-2cc2c(-c3ccccc3)nc(-c3ccccc3)nc21
InChIInChI=1S/C25H16FN3/c26-19-11-12-20-18(13-19)15-29-22(20)14-21-23(16-7-3-1-4-8-16)27-24(28-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyQHEMMLIJOSDOMM-UHFFFAOYSA-N
XLogP5.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-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

6-(4-(naphthalen-2-yl)benzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444230
1,2-Diphenyl-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-4-amine
CID 56649564
2-(tert-butyl)-1-(3-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine
CID 1488065
7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 4225571
N-cyclohexyl-7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5170074
7-Methyl-6-phenyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
CID 9928250
4-(2-(Trifluoromethyl)phenyl)-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18691298
6-benzyl-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444198
6-biphenyl-4-ylmethyl-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444200
7-(4-fluorophenyl)-5-phenyl-N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 1522474
5,6-Dimethyl-2-phenyl-7-(1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 10450080
2-Phenyl-9-((S)-1-p-tolyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylamine
CID 10571710

Frequently Asked Questions

What is the IUPAC name of 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene?
The IUPAC name of 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene (CID 132575232) is 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene.
What is the SMILES notation for 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene?
The canonical SMILES for 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene is Fc1ccc2c(c1)Cn1c-2cc2c(-c3ccccc3)nc(-c3ccccc3)nc21.
What is the InChIKey of 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene?
The InChIKey is QHEMMLIJOSDOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3/c26-19-11-12-20-18(13-19)15-29-22(20)14-21-23(16-7-3-1-4-8-16)27-24(28-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene?
13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene has a molecular weight of 377.42 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene is sourced from PubChem (CID 132575232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).