2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine

C43H27N3OS — CID 170011218

IUPAC2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC2C=CC(c3ccc4oc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)=CC2C=C1
InChIInChI=1S/C43H27N3OS/c1-2-12-27(13-3-1)41-44-42(33-17-10-20-37-38(33)32-16-7-9-19-36(32)48-37)46-43(45-41)40-30(29-22-21-26-11-4-5-14-28(26)25-29)23-24-35-39(40)31-15-6-8-18-34(31)47-35/h1-26,28H
InChIKeyOCPCYUFCJICYMQ-UHFFFAOYSA-N
MW633.78 g/mol
LogP11.45
Rot. Bonds4

About 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine

2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 170011218) has the molecular formula C43H27N3OS and a molecular weight of 633.78 g/mol. Its IUPAC name is 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID170011218
Molecular FormulaC43H27N3OS
Molecular Weight633.78 g/mol
Exact Mass633.19
IUPAC Name2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC2C=CC(c3ccc4oc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)=CC2C=C1
InChIInChI=1S/C43H27N3OS/c1-2-12-27(13-3-1)41-44-42(33-17-10-20-37-38(33)32-16-7-9-19-36(32)48-37)46-43(45-41)40-30(29-22-21-26-11-4-5-14-28(26)25-29)23-24-35-39(40)31-15-6-8-18-34(31)47-35/h1-26,28H
InChIKeyOCPCYUFCJICYMQ-UHFFFAOYSA-N
XLogP11.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.78
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4-(2-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743290
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-(4a,8a-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170130692
2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007484
2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743677
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzothiol-11-yl-6-phenyl-1,3,5-triazine
CID 162712674
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-(4a,8a-dihydronaphthalen-2-yl)-4-dibenzofuran-1-yl-6-[2-[(1E,3Z)-4-(3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170222430
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
2-dibenzofuran-1-yl-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946542

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine (CID 170011218) is 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine is C1=CC2C=CC(c3ccc4oc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)=CC2C=C1.
What is the InChIKey of 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is OCPCYUFCJICYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3OS/c1-2-12-27(13-3-1)41-44-42(33-17-10-20-37-38(33)32-16-7-9-19-36(32)48-37)46-43(45-41)40-30(29-22-21-26-11-4-5-14-28(26)25-29)23-24-35-39(40)31-15-6-8-18-34(31)47-35/h1-26,28H.
What are the key properties of 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine?
2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 633.78 g/mol, XLogP of 11.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4a,8a-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170011218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).