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

C55H35N3S — CID 156574620

IUPAC2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)c4sc5c(-c6ccc(-c7ccccc7)cc6)cccc5c4c3)cc2)cc1
InChIInChI=1S/C55H35N3S/c1-4-14-36(15-5-1)38-26-28-40(29-27-38)44-34-49-47-24-13-23-46(42-32-30-39(31-33-42)37-16-6-2-7-17-37)51(47)59-52(49)50(35-44)55-57-53(43-19-8-3-9-20-43)56-54(58-55)48-25-12-21-41-18-10-11-22-45(41)48/h1-35H
InChIKeyVEDNBWAYMURGQV-UHFFFAOYSA-N
MW769.97 g/mol
LogP15.06
Rot. Bonds7

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

2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 156574620) has the molecular formula C55H35N3S and a molecular weight of 769.97 g/mol. Its IUPAC name is 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID156574620
Molecular FormulaC55H35N3S
Molecular Weight769.97 g/mol
Exact Mass769.26
IUPAC Name2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)c4sc5c(-c6ccc(-c7ccccc7)cc6)cccc5c4c3)cc2)cc1
InChIInChI=1S/C55H35N3S/c1-4-14-36(15-5-1)38-26-28-40(29-27-38)44-34-49-47-24-13-23-46(42-32-30-39(31-33-42)37-16-6-2-7-17-37)51(47)59-52(49)50(35-44)55-57-53(43-19-8-3-9-20-43)56-54(58-55)48-25-12-21-41-18-10-11-22-45(41)48/h1-35H
InChIKeyVEDNBWAYMURGQV-UHFFFAOYSA-N
XLogP15.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 164838407
2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156574588
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
CID 156574591
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-[3-[3-[4-[4-(4-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 139441960
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942463
2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 156574856
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-(4-phenanthren-3-yl-6,8-diphenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 149323355
2-chloro-4-phenyl-6-[6-(8-phenylnaphthalen-2-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 138519314

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 156574620) is 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)c4sc5c(-c6ccc(-c7ccccc7)cc6)cccc5c4c3)cc2)cc1.
What is the InChIKey of 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is VEDNBWAYMURGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S/c1-4-14-36(15-5-1)38-26-28-40(29-27-38)44-34-49-47-24-13-23-46(42-32-30-39(31-33-42)37-16-6-2-7-17-37)51(47)59-52(49)50(35-44)55-57-53(43-19-8-3-9-20-43)56-54(58-55)48-25-12-21-41-18-10-11-22-45(41)48/h1-35H.
What are the key properties of 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 769.97 g/mol, XLogP of 15.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156574620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).