3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole

C46H28N4S — CID 155357131

IUPAC3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESC1=CC=CC=C(c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)n2)C=1
InChIInChI=1S/C46H28N4S/c1-2-6-16-30(15-5-1)44-47-45(31-17-7-3-8-18-31)49-46(48-44)38-25-14-24-37-36-23-13-22-34(42(36)51-43(37)38)32-27-28-41-39(29-32)35-21-11-12-26-40(35)50(41)33-19-9-4-10-20-33/h1-5,7-29H
InChIKeyIJBNPILTUMDTSO-UHFFFAOYSA-N
MW668.83 g/mol
LogP12.00
Rot. Bonds5

About 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole

3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 155357131) has the molecular formula C46H28N4S and a molecular weight of 668.83 g/mol. Its IUPAC name is 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
PubChem CID155357131
Molecular FormulaC46H28N4S
Molecular Weight668.83 g/mol
Exact Mass668.20
IUPAC Name3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESC1=CC=CC=C(c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)n2)C=1
InChIInChI=1S/C46H28N4S/c1-2-6-16-30(15-5-1)44-47-45(31-17-7-3-8-18-31)49-46(48-44)38-25-14-24-37-36-23-13-22-34(42(36)51-43(37)38)32-27-28-41-39(29-32)35-21-11-12-26-40(35)50(41)33-19-9-4-10-20-33/h1-5,7-29H
InChIKeyIJBNPILTUMDTSO-UHFFFAOYSA-N
XLogP12.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.83
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-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

3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154602092
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 122501672
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771
10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 161495487
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
9-phenyl-3-[9-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 129291950
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,12-diphenyl-[1]benzothiolo[2,3-a]carbazole
CID 163588004
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole
CID 126580282
10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 160750252

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (CID 155357131) is 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is C1=CC=CC=C(c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)n2)C=1.
What is the InChIKey of 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The InChIKey is IJBNPILTUMDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4S/c1-2-6-16-30(15-5-1)44-47-45(31-17-7-3-8-18-31)49-46(48-44)38-25-14-24-37-36-23-13-22-34(42(36)51-43(37)38)32-27-28-41-39(29-32)35-21-11-12-26-40(35)50(41)33-19-9-4-10-20-33/h1-5,7-29H.
What are the key properties of 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole has a molecular weight of 668.83 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 155357131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).