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

C43H27N3S — CID 174328334

IUPAC2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C43H27N3S/c1-3-11-28(12-4-1)35-26-37(40-36-17-9-10-18-38(36)47-39(40)27-35)43-45-41(31-14-5-2-6-15-31)44-42(46-43)32-22-19-30(20-23-32)34-24-21-29-13-7-8-16-33(29)25-34/h1-27H
InChIKeyBVUXNIRQZRSMQF-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.73
Rot. Bonds5

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

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine (PubChem CID 174328334) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
PubChem CID174328334
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C43H27N3S/c1-3-11-28(12-4-1)35-26-37(40-36-17-9-10-18-38(36)47-39(40)27-35)43-45-41(31-14-5-2-6-15-31)44-42(46-43)32-22-19-30(20-23-32)34-24-21-29-13-7-8-16-33(29)25-34/h1-27H
InChIKeyBVUXNIRQZRSMQF-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-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328436
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(7-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 154934432
4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline
CID 174328544
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine
CID 174328840
2-phenyl-4-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378557
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 162504462
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 166042750
2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine (CID 174328334) is 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
The InChIKey is BVUXNIRQZRSMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-3-11-28(12-4-1)35-26-37(40-36-17-9-10-18-38(36)47-39(40)27-35)43-45-41(31-14-5-2-6-15-31)44-42(46-43)32-22-19-30(20-23-32)34-24-21-29-13-7-8-16-33(29)25-34/h1-27H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine?
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-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-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 174328334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).