6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine

C48H32N4S — CID 155327295

IUPAC6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc(C3=NC(c4cncc5sc6ccc(-c7ccc(-c8ccccc8)c8ccccc78)cc6c45)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C48H32N4S/c1-4-12-31(13-5-1)32-20-22-35(23-21-32)47-50-46(34-16-8-3-9-17-34)51-48(52-47)42-29-49-30-44-45(42)41-28-36(24-27-43(41)53-44)38-26-25-37(33-14-6-2-7-15-33)39-18-10-11-19-40(38)39/h1-30,46H,(H,50,51,52)
InChIKeyGHTOHHRGUDOSRS-UHFFFAOYSA-N
MW696.88 g/mol
LogP12.10
Rot. Bonds6

About 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine

6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 155327295) has the molecular formula C48H32N4S and a molecular weight of 696.88 g/mol. Its IUPAC name is 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID155327295
Molecular FormulaC48H32N4S
Molecular Weight696.88 g/mol
Exact Mass696.23
IUPAC Name6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc(C3=NC(c4cncc5sc6ccc(-c7ccc(-c8ccccc8)c8ccccc78)cc6c45)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C48H32N4S/c1-4-12-31(13-5-1)32-20-22-35(23-21-32)47-50-46(34-16-8-3-9-17-34)51-48(52-47)42-29-49-30-44-45(42)41-28-36(24-27-43(41)53-44)38-26-25-37(33-14-6-2-7-15-33)39-18-10-11-19-40(38)39/h1-30,46H,(H,50,51,52)
InChIKeyGHTOHHRGUDOSRS-UHFFFAOYSA-N
XLogP12.10
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.88
LogP ≤ 512.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

6-(9-phenanthren-9-ylcarbazol-3-yl)-4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327097
6-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]-4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327098
6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327299
6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
CID 147640194
1-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-8-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridine
CID 155327328
2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 137285252
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574841
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 148755581
9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163568640
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine (CID 155327295) is 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2ccc(C3=NC(c4cncc5sc6ccc(-c7ccc(-c8ccccc8)c8ccccc78)cc6c45)=NC(c4ccccc4)N3)cc2)cc1.
What is the InChIKey of 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is GHTOHHRGUDOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4S/c1-4-12-31(13-5-1)32-20-22-35(23-21-32)47-50-46(34-16-8-3-9-17-34)51-48(52-47)42-29-49-30-44-45(42)41-28-36(24-27-43(41)53-44)38-26-25-37(33-14-6-2-7-15-33)39-18-10-11-19-40(38)39/h1-30,46H,(H,50,51,52).
What are the key properties of 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 696.88 g/mol, XLogP of 12.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 155327295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).