9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole

C51H30N4S — CID 142570557

IUPAC9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c54)n3)ccc2c1
InChIInChI=1S/C51H30N4S/c1-3-14-34-29-36(25-23-31(34)11-1)49-52-50(37-26-24-32-12-2-4-15-35(32)30-37)54-51(53-49)55-44-22-8-7-17-39(44)40-18-9-19-41(47(40)55)42-20-10-21-43-46-38-16-6-5-13-33(38)27-28-45(46)56-48(42)43/h1-30H
InChIKeyZDGPVFOEIMBOKH-UHFFFAOYSA-N
MW730.90 g/mol
LogP13.80
Rot. Bonds4

About 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole

9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole (PubChem CID 142570557) has the molecular formula C51H30N4S and a molecular weight of 730.90 g/mol. Its IUPAC name is 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole.

Molecular Properties

Compound Name9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole
PubChem CID142570557
Molecular FormulaC51H30N4S
Molecular Weight730.90 g/mol
Exact Mass730.22
IUPAC Name9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c54)n3)ccc2c1
InChIInChI=1S/C51H30N4S/c1-3-14-34-29-36(25-23-31(34)11-1)49-52-50(37-26-24-32-12-2-4-15-35(32)30-37)54-51(53-49)55-44-22-8-7-17-39(44)40-18-9-19-41(47(40)55)42-20-10-21-43-46-38-16-6-5-13-33(38)27-28-45(46)56-48(42)43/h1-30H
InChIKeyZDGPVFOEIMBOKH-UHFFFAOYSA-N
XLogP13.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.90
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-8-ylbenzo[a]carbazole;ethane
CID 142570249
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole;propane
CID 142570766
21-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-19-naphtho[2,1-b][1]benzothiol-8-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;ethane
CID 142571144
1-naphtho[2,1-b][1]benzothiol-8-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142572060
5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
CID 142570393
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631
9-[5-[4-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500346
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913725
5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 58029103

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole?
The IUPAC name of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole (CID 142570557) is 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole.
What is the SMILES notation for 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole?
The canonical SMILES for 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cccc(-c6cccc7c6sc6ccc8ccccc8c67)c54)n3)ccc2c1.
What is the InChIKey of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole?
The InChIKey is ZDGPVFOEIMBOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S/c1-3-14-34-29-36(25-23-31(34)11-1)49-52-50(37-26-24-32-12-2-4-15-35(32)30-37)54-51(53-49)55-44-22-8-7-17-39(44)40-18-9-19-41(47(40)55)42-20-10-21-43-46-38-16-6-5-13-33(38)27-28-45(46)56-48(42)43/h1-30H.
What are the key properties of 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole?
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole has a molecular weight of 730.90 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-8-ylcarbazole is sourced from PubChem (CID 142570557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).