3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole

C49H34N2S — CID 118534441

IUPAC3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESCC1CC=Cc2sc3cccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)c3c21
InChIInChI=1S/C49H34N2S/c1-31-11-9-19-46-48(31)49-37(16-10-20-47(49)52-46)32-21-25-36(26-22-32)51-42-17-7-5-14-38(42)40-27-23-34(30-45(40)51)33-24-28-44-41(29-33)39-15-6-8-18-43(39)50(44)35-12-3-2-4-13-35/h2-10,12-31H,11H2,1H3
InChIKeyYIZSTAHOHCOWIJ-UHFFFAOYSA-N
MW682.89 g/mol
LogP13.95
Rot. Bonds4

About 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 118534441) has the molecular formula C49H34N2S and a molecular weight of 682.89 g/mol. Its IUPAC name is 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID118534441
Molecular FormulaC49H34N2S
Molecular Weight682.89 g/mol
Exact Mass682.24
IUPAC Name3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESCC1CC=Cc2sc3cccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)c3c21
InChIInChI=1S/C49H34N2S/c1-31-11-9-19-46-48(31)49-37(16-10-20-47(49)52-46)32-21-25-36(26-22-32)51-42-17-7-5-14-38(42)40-27-23-34(30-45(40)51)33-24-28-44-41(29-33)39-15-6-8-18-43(39)50(44)35-12-3-2-4-13-35/h2-10,12-31H,11H2,1H3
InChIKeyYIZSTAHOHCOWIJ-UHFFFAOYSA-N
XLogP13.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.89
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole 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

9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 163591718
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 170265361
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
11-[4-(9-methyl-8,9-dihydrodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 142614818
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 139472667

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole (CID 118534441) is 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole is CC1CC=Cc2sc3cccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)c3c21.
What is the InChIKey of 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is YIZSTAHOHCOWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S/c1-31-11-9-19-46-48(31)49-37(16-10-20-47(49)52-46)32-21-25-36(26-22-32)51-42-17-7-5-14-38(42)40-27-23-34(30-45(40)51)33-24-28-44-41(29-33)39-15-6-8-18-43(39)50(44)35-12-3-2-4-13-35/h2-10,12-31H,11H2,1H3.
What are the key properties of 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 682.89 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118534441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).