5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole

C59H38N4S — CID 155430884

IUPAC5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccccc2C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cccc4sc5ccc6ccccc6c5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C59H38N4S/c1-3-16-37(17-4-1)43-23-11-12-26-47(43)58-60-57(39-19-5-2-6-20-39)61-59(62-58)48-32-31-42(63-51-28-14-13-25-45(51)50-34-40-21-7-8-22-41(40)35-52(50)63)36-49(48)46-27-15-29-53-56(46)55-44-24-10-9-18-38(44)30-33-54(55)64-53/h1-36,57H,(H,60,61,62)
InChIKeyYINJPKLCMDIEQD-UHFFFAOYSA-N
MW835.05 g/mol
LogP15.29
Rot. Bonds6

About 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole

5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (PubChem CID 155430884) has the molecular formula C59H38N4S and a molecular weight of 835.05 g/mol. Its IUPAC name is 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
PubChem CID155430884
Molecular FormulaC59H38N4S
Molecular Weight835.05 g/mol
Exact Mass834.28
IUPAC Name5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccccc2C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cccc4sc5ccc6ccccc6c5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C59H38N4S/c1-3-16-37(17-4-1)43-23-11-12-26-47(43)58-60-57(39-19-5-2-6-20-39)61-59(62-58)48-32-31-42(63-51-28-14-13-25-45(51)50-34-40-21-7-8-22-41(40)35-52(50)63)36-49(48)46-27-15-29-53-56(46)55-44-24-10-9-18-38(44)30-33-54(55)64-53/h1-36,57H,(H,60,61,62)
InChIKeyYINJPKLCMDIEQD-UHFFFAOYSA-N
XLogP15.29
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.05
LogP ≤ 515.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole with MolForge

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Related Compounds

5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155430303
5-[3-dibenzothiophen-1-yl-4-[2,6-di(triphenylen-2-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155430242
5-[3-dibenzothiophen-4-yl-4-(6-phenanthren-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155430839
5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430891
5-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430251
5-[2-naphtho[2,3-b][1]benzothiol-1-yl-4-(2-phenyl-6-triphenylen-1-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474597
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
5-[3-dibenzothiophen-4-yl-4-[6-(7-methyl-6,7-dihydrodibenzothiophen-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155430547
3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
CID 163899540
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250
5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155430510

Frequently Asked Questions

What is the IUPAC name of 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (CID 155430884) is 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole is c1ccc(-c2ccccc2C2=NC(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cccc4sc5ccc6ccccc6c5c34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The InChIKey is YINJPKLCMDIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4S/c1-3-16-37(17-4-1)43-23-11-12-26-47(43)58-60-57(39-19-5-2-6-20-39)61-59(62-58)48-32-31-42(63-51-28-14-13-25-45(51)50-34-40-21-7-8-22-41(40)35-52(50)63)36-49(48)46-27-15-29-53-56(46)55-44-24-10-9-18-38(44)30-33-54(55)64-53/h1-36,57H,(H,60,61,62).
What are the key properties of 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole has a molecular weight of 835.05 g/mol, XLogP of 15.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-naphtho[2,1-b][1]benzothiol-11-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).