9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C53H32N4S — CID 164707420

IUPAC9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc4sc5c(-c6ccc7ccccc7c6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C53H32N4S/c1-2-14-34(15-3-1)51-54-52(35-27-29-38(30-28-35)57-46-23-10-8-18-41(46)42-19-9-11-24-47(42)57)56-53(55-51)45-32-48-49(43-20-7-6-17-40(43)45)44-22-12-21-39(50(44)58-48)37-26-25-33-13-4-5-16-36(33)31-37/h1-32H
InChIKeyMCYYXDXQPYAMEA-UHFFFAOYSA-N
MW756.93 g/mol
LogP14.31
Rot. Bonds5

About 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 164707420) has the molecular formula C53H32N4S and a molecular weight of 756.93 g/mol. Its IUPAC name is 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID164707420
Molecular FormulaC53H32N4S
Molecular Weight756.93 g/mol
Exact Mass756.23
IUPAC Name9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc4sc5c(-c6ccc7ccccc7c6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C53H32N4S/c1-2-14-34(15-3-1)51-54-52(35-27-29-38(30-28-35)57-46-23-10-8-18-41(46)42-19-9-11-24-47(42)57)56-53(55-51)45-32-48-49(43-20-7-6-17-40(43)45)44-22-12-21-39(50(44)58-48)37-26-25-33-13-4-5-16-36(33)31-37/h1-32H
InChIKeyMCYYXDXQPYAMEA-UHFFFAOYSA-N
XLogP14.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164707411
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
9-[4-[4-naphthalen-2-yl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283094
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 161474425
4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170927836
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601872
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
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808507
9-[3-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032128

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 164707420) is 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc4sc5c(-c6ccc7ccccc7c6)cccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is MCYYXDXQPYAMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S/c1-2-14-34(15-3-1)51-54-52(35-27-29-38(30-28-35)57-46-23-10-8-18-41(46)42-19-9-11-24-47(42)57)56-53(55-51)45-32-48-49(43-20-7-6-17-40(43)45)44-22-12-21-39(50(44)58-48)37-26-25-33-13-4-5-16-36(33)31-37/h1-32H.
What are the key properties of 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 756.93 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(8-naphthalen-2-ylnaphtho[2,1-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 164707420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).