2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine

C55H35N3S2 — CID 163606738

IUPAC2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(sc3c(-c4nc(-c5c(-c6ccccc6)ccc(-c6ccccc6)c5-c5cccc6ccccc56)nc(-c5cccc6c5sc5ccccc56)n4)cccc23)CC1
InChIInChI=1S/C55H35N3S2/c1-3-16-35(17-4-1)38-32-33-39(36-18-5-2-6-19-36)50(49(38)42-25-13-21-34-20-7-8-22-37(34)42)55-57-53(45-28-14-26-43-40-23-9-11-30-47(40)59-51(43)45)56-54(58-55)46-29-15-27-44-41-24-10-12-31-48(41)60-52(44)46/h1-11,13-30,32-33H,12,31H2
InChIKeyHCLKRWVVNJRRNS-UHFFFAOYSA-N
MW802.04 g/mol
LogP15.57
Rot. Bonds6

About 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine (PubChem CID 163606738) has the molecular formula C55H35N3S2 and a molecular weight of 802.04 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine
PubChem CID163606738
Molecular FormulaC55H35N3S2
Molecular Weight802.04 g/mol
Exact Mass801.23
IUPAC Name2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(sc3c(-c4nc(-c5c(-c6ccccc6)ccc(-c6ccccc6)c5-c5cccc6ccccc56)nc(-c5cccc6c5sc5ccccc56)n4)cccc23)CC1
InChIInChI=1S/C55H35N3S2/c1-3-16-35(17-4-1)38-32-33-39(36-18-5-2-6-19-36)50(49(38)42-25-13-21-34-20-7-8-22-37(34)42)55-57-53(45-28-14-26-43-40-23-9-11-30-47(40)59-51(43)45)56-54(58-55)46-29-15-27-44-41-24-10-12-31-48(41)60-52(44)46/h1-11,13-30,32-33H,12,31H2
InChIKeyHCLKRWVVNJRRNS-UHFFFAOYSA-N
XLogP15.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.04
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4,6-bis(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155480714
2,4-di(dibenzothiophen-4-yl)-6-[3-naphthalen-1-yl-6-phenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349136
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481410
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442293
N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 131994040
2,4-di(dibenzothiophen-4-yl)-6-[2-(2-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 167349176
2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 167349007
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-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 161120193
2-dibenzothiophen-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139441619

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine (CID 163606738) is 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine is C1=Cc2c(sc3c(-c4nc(-c5c(-c6ccccc6)ccc(-c6ccccc6)c5-c5cccc6ccccc56)nc(-c5cccc6c5sc5ccccc56)n4)cccc23)CC1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine?
The InChIKey is HCLKRWVVNJRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S2/c1-3-16-35(17-4-1)38-32-33-39(36-18-5-2-6-19-36)50(49(38)42-25-13-21-34-20-7-8-22-37(34)42)55-57-53(45-28-14-26-43-40-23-9-11-30-47(40)59-51(43)45)56-54(58-55)46-29-15-27-44-41-24-10-12-31-48(41)60-52(44)46/h1-11,13-30,32-33H,12,31H2.
What are the key properties of 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine has a molecular weight of 802.04 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163606738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).