9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole

C51H38N4S — CID 137215423

IUPAC9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole
SMILESC1=CC(c2cccc(C3=NC(c4ccc(-n5c6ccccc6c6cc(-c7cccc8c9c(sc78)CCC=C9)ccc65)cc4)=NC(c4ccccc4)N3)c2)=CCC1
InChIInChI=1S/C51H38N4S/c1-3-13-33(14-4-1)36-17-11-18-38(31-36)51-53-49(34-15-5-2-6-16-34)52-50(54-51)35-25-28-39(29-26-35)55-45-23-9-7-19-41(45)44-32-37(27-30-46(44)55)40-21-12-22-43-42-20-8-10-24-47(42)56-48(40)43/h2-3,5-9,11-23,25-32,49H,1,4,10,24H2,(H,52,53,54)
InChIKeyYGDWBKCSYJKTEE-UHFFFAOYSA-N
MW738.96 g/mol
LogP12.85
Rot. Bonds6

About 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole

9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole (PubChem CID 137215423) has the molecular formula C51H38N4S and a molecular weight of 738.96 g/mol. Its IUPAC name is 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole
PubChem CID137215423
Molecular FormulaC51H38N4S
Molecular Weight738.96 g/mol
Exact Mass738.28
IUPAC Name9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole
SMILESC1=CC(c2cccc(C3=NC(c4ccc(-n5c6ccccc6c6cc(-c7cccc8c9c(sc78)CCC=C9)ccc65)cc4)=NC(c4ccccc4)N3)c2)=CCC1
InChIInChI=1S/C51H38N4S/c1-3-13-33(14-4-1)36-17-11-18-38(31-36)51-53-49(34-15-5-2-6-16-34)52-50(54-51)35-25-28-39(29-26-35)55-45-23-9-7-19-41(45)44-32-37(27-30-46(44)55)40-21-12-22-43-42-20-8-10-24-47(42)56-48(40)43/h2-3,5-9,11-23,25-32,49H,1,4,10,24H2,(H,52,53,54)
InChIKeyYGDWBKCSYJKTEE-UHFFFAOYSA-N
XLogP12.85
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.96
LogP ≤ 512.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)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

3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
3-(6-cyclohexa-1,5-dien-1-yldibenzothiophen-4-yl)-9-[4-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87157526
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
12-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9,10-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 129200006

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole?
The IUPAC name of 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole (CID 137215423) is 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole?
The canonical SMILES for 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole is C1=CC(c2cccc(C3=NC(c4ccc(-n5c6ccccc6c6cc(-c7cccc8c9c(sc78)CCC=C9)ccc65)cc4)=NC(c4ccccc4)N3)c2)=CCC1.
What is the InChIKey of 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole?
The InChIKey is YGDWBKCSYJKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N4S/c1-3-13-33(14-4-1)36-17-11-18-38(31-36)51-53-49(34-15-5-2-6-16-34)52-50(54-51)35-25-28-39(29-26-35)55-45-23-9-7-19-41(45)44-32-37(27-30-46(44)55)40-21-12-22-43-42-20-8-10-24-47(42)56-48(40)43/h2-3,5-9,11-23,25-32,49H,1,4,10,24H2,(H,52,53,54).
What are the key properties of 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole?
9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole has a molecular weight of 738.96 g/mol, XLogP of 12.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 137215423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).