2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole

C52H30N4S2 — CID 171456364

IUPAC2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4c5nc(-c6ccc7ccccc7c6)sc5cc5c4sc4ccccc45)n3)ccc3ccccc23)cc1
InChIInChI=1S/C52H30N4S2/c1-2-15-34(16-3-1)45-39-19-9-8-14-33(39)26-27-41(45)50-54-49(37-24-22-31-12-4-6-17-35(31)28-37)55-51(56-50)46-47-44(30-42-40-20-10-11-21-43(40)57-48(42)46)58-52(53-47)38-25-23-32-13-5-7-18-36(32)29-38/h1-30H
InChIKeyDLGVDPKYEQDXDK-UHFFFAOYSA-N
MW774.97 g/mol
LogP14.64
Rot. Bonds5

About 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole

2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole (PubChem CID 171456364) has the molecular formula C52H30N4S2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
PubChem CID171456364
Molecular FormulaC52H30N4S2
Molecular Weight774.97 g/mol
Exact Mass774.19
IUPAC Name2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4c5nc(-c6ccc7ccccc7c6)sc5cc5c4sc4ccccc45)n3)ccc3ccccc23)cc1
InChIInChI=1S/C52H30N4S2/c1-2-15-34(16-3-1)45-39-19-9-8-14-33(39)26-27-41(45)50-54-49(37-24-22-31-12-4-6-17-35(31)28-37)55-51(56-50)46-47-44(30-42-40-20-10-11-21-43(40)57-48(42)46)58-52(53-47)38-25-23-32-13-5-7-18-36(32)29-38/h1-30H
InChIKeyDLGVDPKYEQDXDK-UHFFFAOYSA-N
XLogP14.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole with MolForge

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Related Compounds

2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455869
2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130179
10-[4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazole
CID 171455348
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441673
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442322
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442114
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411768
2-(3-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176853898
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139442167
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481014
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The IUPAC name of 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole (CID 171456364) is 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The canonical SMILES for 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole is c1ccc(-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4c5nc(-c6ccc7ccccc7c6)sc5cc5c4sc4ccccc45)n3)ccc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The InChIKey is DLGVDPKYEQDXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S2/c1-2-15-34(16-3-1)45-39-19-9-8-14-33(39)26-27-41(45)50-54-49(37-24-22-31-12-4-6-17-35(31)28-37)55-51(56-50)46-47-44(30-42-40-20-10-11-21-43(40)57-48(42)46)58-52(53-47)38-25-23-32-13-5-7-18-36(32)29-38/h1-30H.
What are the key properties of 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole has a molecular weight of 774.97 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 171456364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).