2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine

C43H27N3S — CID 156574856

IUPAC2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4sc5c(-c6ccccc6)cccc5c34)n2)cc1
InChIInChI=1S/C43H27N3S/c1-4-14-29(15-5-1)33-23-13-25-36-38-37(27-26-35(40(38)47-39(33)36)34-24-12-21-28-16-10-11-22-32(28)34)43-45-41(30-17-6-2-7-18-30)44-42(46-43)31-19-8-3-9-20-31/h1-27H
InChIKeyHQSMNMJEGHPMNM-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.73
Rot. Bonds5

About 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 156574856) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID156574856
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4sc5c(-c6ccccc6)cccc5c34)n2)cc1
InChIInChI=1S/C43H27N3S/c1-4-14-29(15-5-1)33-23-13-25-36-38-37(27-26-35(40(38)47-39(33)36)34-24-12-21-28-16-10-11-22-32(28)34)43-45-41(30-17-6-2-7-18-30)44-42(46-43)31-19-8-3-9-20-31/h1-27H
InChIKeyHQSMNMJEGHPMNM-UHFFFAOYSA-N
XLogP11.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 168721762
2,4-diphenyl-6-[6-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199450
2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156574620
2-(4-phenanthren-3-yl-6,8-diphenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 149323355
2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168721769
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-dibenzofuran-3-yl-4-phenyl-6-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,3,5-triazine
CID 139404323
2-phenyl-4-[9-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200044
2,4-bis(4-phenylphenyl)-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-1,3,5-triazine
CID 139447186
2-phenyl-4-[9-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200058
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170202059

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 156574856) is 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4sc5c(-c6ccccc6)cccc5c34)n2)cc1.
What is the InChIKey of 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HQSMNMJEGHPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-4-14-29(15-5-1)33-23-13-25-36-38-37(27-26-35(40(38)47-39(33)36)34-24-12-21-28-16-10-11-22-32(28)34)43-45-41(30-17-6-2-7-18-30)44-42(46-43)31-19-8-3-9-20-31/h1-27H.
What are the key properties of 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 617.78 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 156574856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).