2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

C58H38N6S — CID 142453353

IUPAC2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc(C5=NC(c6ccccc6-c6ccccc6)=NC(c6ccccc6)N5)cc4)c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C58H38N6S/c1-4-17-37(18-5-1)43-26-12-13-27-46(43)56-60-53(40-20-6-2-7-21-40)59-55(62-56)42-33-31-39(32-34-42)45-35-36-49(51-48-28-14-15-30-50(48)65-52(45)51)58-63-54(41-22-8-3-9-23-41)61-57(64-58)47-29-16-24-38-19-10-11-25-44(38)47/h1-36,53H,(H,59,60,62)
InChIKeyDOQZZXRSWCXGBI-UHFFFAOYSA-N
MW851.05 g/mol
LogP14.22
Rot. Bonds8

About 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 142453353) has the molecular formula C58H38N6S and a molecular weight of 851.05 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID142453353
Molecular FormulaC58H38N6S
Molecular Weight851.05 g/mol
Exact Mass850.29
IUPAC Name2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc(C5=NC(c6ccccc6-c6ccccc6)=NC(c6ccccc6)N5)cc4)c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C58H38N6S/c1-4-17-37(18-5-1)43-26-12-13-27-46(43)56-60-53(40-20-6-2-7-21-40)59-55(62-56)42-33-31-39(32-34-42)45-35-36-49(51-48-28-14-15-30-50(48)65-52(45)51)58-63-54(41-22-8-3-9-23-41)61-57(64-58)47-29-16-24-38-19-10-11-25-44(38)47/h1-36,53H,(H,59,60,62)
InChIKeyDOQZZXRSWCXGBI-UHFFFAOYSA-N
XLogP14.22
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.05
LogP ≤ 514.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[2,3-c]quinoline
CID 146489531
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129227953
4-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167132630
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
2-phenyl-4-[9-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200044
2,4-diphenyl-6-[6-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199450
4-[4-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-yl]-2,6-diphenylpyrimidine
CID 142491221
2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 156574856
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648770
2-phenyl-4-[7-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200211
2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 174322101
2-phenyl-4-[9-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200058

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (CID 142453353) is 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc(C5=NC(c6ccccc6-c6ccccc6)=NC(c6ccccc6)N5)cc4)c4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is DOQZZXRSWCXGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N6S/c1-4-17-37(18-5-1)43-26-12-13-27-46(43)56-60-53(40-20-6-2-7-21-40)59-55(62-56)42-33-31-39(32-34-42)45-35-36-49(51-48-28-14-15-30-50(48)65-52(45)51)58-63-54(41-22-8-3-9-23-41)61-57(64-58)47-29-16-24-38-19-10-11-25-44(38)47/h1-36,53H,(H,59,60,62).
What are the key properties of 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 851.05 g/mol, XLogP of 14.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 142453353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).