9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole

C55H34N4S — CID 142571631

IUPAC9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cccc(-c6ccc7sc8ccc9ccccc9c8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C55H34N4S/c1-3-12-35(13-4-1)37-22-26-40(27-23-37)53-56-54(41-28-24-38(25-29-41)36-14-5-2-6-15-36)58-55(57-53)59-48-21-10-9-18-45(48)46-20-11-19-44(52(46)59)42-31-32-49-47(34-42)51-43-17-8-7-16-39(43)30-33-50(51)60-49/h1-34H
InChIKeyNAAKXOOJQHWFMV-UHFFFAOYSA-N
MW782.97 g/mol
LogP14.82
Rot. Bonds6

About 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole

9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole (PubChem CID 142571631) has the molecular formula C55H34N4S and a molecular weight of 782.97 g/mol. Its IUPAC name is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
PubChem CID142571631
Molecular FormulaC55H34N4S
Molecular Weight782.97 g/mol
Exact Mass782.25
IUPAC Name9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cccc(-c6ccc7sc8ccc9ccccc9c8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C55H34N4S/c1-3-12-35(13-4-1)37-22-26-40(27-23-37)53-56-54(41-28-24-38(25-29-41)36-14-5-2-6-15-36)58-55(57-53)59-48-21-10-9-18-45(48)46-20-11-19-44(52(46)59)42-31-32-49-47(34-42)51-43-17-8-7-16-39(43)30-33-50(51)60-49/h1-34H
InChIKeyNAAKXOOJQHWFMV-UHFFFAOYSA-N
XLogP14.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole 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-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-naphtho[2,1-b][1]benzothiol-10-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570265
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole;propane
CID 142570766
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277
8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole
CID 142571936
9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303270
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
CID 142570568

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole?
The IUPAC name of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole (CID 142571631) is 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole.
What is the SMILES notation for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole?
The canonical SMILES for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cccc(-c6ccc7sc8ccc9ccccc9c8c7c6)c54)n3)cc2)cc1.
What is the InChIKey of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole?
The InChIKey is NAAKXOOJQHWFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S/c1-3-12-35(13-4-1)37-22-26-40(27-23-37)53-56-54(41-28-24-38(25-29-41)36-14-5-2-6-15-36)58-55(57-53)59-48-21-10-9-18-45(48)46-20-11-19-44(52(46)59)42-31-32-49-47(34-42)51-43-17-8-7-16-39(43)30-33-50(51)60-49/h1-34H.
What are the key properties of 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole?
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole has a molecular weight of 782.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole is sourced from PubChem (CID 142571631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).