12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole

C39H31N5 — CID 145327150

IUPAC12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole
SMILESC1=CCC(C2NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C39H31N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-16,18-25,27,37-38,40H,17H2,(H,41,42)
InChIKeyMHSBTKAUFJGZPL-UHFFFAOYSA-N
MW569.71 g/mol
LogP8.45
Rot. Bonds3

About 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole

12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 145327150) has the molecular formula C39H31N5 and a molecular weight of 569.71 g/mol. Its IUPAC name is 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID145327150
Molecular FormulaC39H31N5
Molecular Weight569.71 g/mol
Exact Mass569.26
IUPAC Name12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole
SMILESC1=CCC(C2NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C39H31N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-16,18-25,27,37-38,40H,17H2,(H,41,42)
InChIKeyMHSBTKAUFJGZPL-UHFFFAOYSA-N
XLogP8.45
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole 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-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 174276849
5-[5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-ylidene)-2H-pyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 145327034
11-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 118398709
9-[6-[7-(2-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962834
20-(4-dibenzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-phenyl-3,5,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 165030482
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 137245677
11-(3-carbazol-9-ylphenyl)-12-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 134240128
2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 174300944
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole
CID 70912210
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554

Frequently Asked Questions

What is the IUPAC name of 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole (CID 145327150) is 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole is C1=CCC(C2NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=NC(c3ccccc3)N2)C=C1.
What is the InChIKey of 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is MHSBTKAUFJGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-16,18-25,27,37-38,40H,17H2,(H,41,42).
What are the key properties of 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole?
12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 569.71 g/mol, XLogP of 8.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 145327150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).