5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole

C57H34N4S — CID 155035114

IUPAC5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5sc6c7ccccc7ccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)n3)c2)cc1
InChIInChI=1S/C57H34N4S/c1-2-13-35(14-3-1)39-20-12-21-42(31-39)55-58-56(43-26-25-36-15-4-5-17-38(36)32-43)60-57(59-55)47-29-30-51-52(46-28-27-37-16-8-9-22-44(37)54(46)62-51)53(47)61-49-24-11-10-23-45(49)48-33-40-18-6-7-19-41(40)34-50(48)61/h1-34H
InChIKeyRRYCWNAVWCKTPQ-UHFFFAOYSA-N
MW806.99 g/mol
LogP15.46
Rot. Bonds5

About 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole

5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole (PubChem CID 155035114) has the molecular formula C57H34N4S and a molecular weight of 806.99 g/mol. Its IUPAC name is 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole
PubChem CID155035114
Molecular FormulaC57H34N4S
Molecular Weight806.99 g/mol
Exact Mass806.25
IUPAC Name5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5sc6c7ccccc7ccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)n3)c2)cc1
InChIInChI=1S/C57H34N4S/c1-2-13-35(14-3-1)39-20-12-21-42(31-39)55-58-56(43-26-25-36-15-4-5-17-38(36)32-43)60-57(59-55)47-29-30-51-52(46-28-27-37-16-8-9-22-44(37)54(46)62-51)53(47)61-49-24-11-10-23-45(49)48-33-40-18-6-7-19-41(40)34-50(48)61/h1-34H
InChIKeyRRYCWNAVWCKTPQ-UHFFFAOYSA-N
XLogP15.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.99
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzothiol-7-ylphenyl]benzo[b]carbazole
CID 155474842
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155034988
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450393
5-[7-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole
CID 155039948
5-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347318
5-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166699813
5-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700257
9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167031924
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450731
5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 170412246
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474859

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole?
The IUPAC name of 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole (CID 155035114) is 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole?
The canonical SMILES for 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5sc6c7ccccc7ccc6c5c4-n4c5ccccc5c5cc6ccccc6cc54)n3)c2)cc1.
What is the InChIKey of 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole?
The InChIKey is RRYCWNAVWCKTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4S/c1-2-13-35(14-3-1)39-20-12-21-42(31-39)55-58-56(43-26-25-36-15-4-5-17-38(36)32-43)60-57(59-55)47-29-30-51-52(46-28-27-37-16-8-9-22-44(37)54(46)62-51)53(47)61-49-24-11-10-23-45(49)48-33-40-18-6-7-19-41(40)34-50(48)61/h1-34H.
What are the key properties of 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole?
5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole has a molecular weight of 806.99 g/mol, XLogP of 15.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-7-yl]benzo[b]carbazole is sourced from PubChem (CID 155035114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).