2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

C44H29N3OS — CID 167007994

IUPAC2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESCC1Cc2ccc(-c3cccc4oc5ccccc5c34)cc2C=C1c1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C44H29N3OS/c1-26-23-28-21-22-29(31-15-10-19-38-40(31)34-14-5-7-18-37(34)48-38)24-30(28)25-36(26)44-46-42(27-11-3-2-4-12-27)45-43(47-44)35-17-9-16-33-32-13-6-8-20-39(32)49-41(33)35/h2-22,24-26H,23H2,1H3
InChIKeyVZKAJNIBUTXQKW-UHFFFAOYSA-N
MW647.80 g/mol
LogP11.87
Rot. Bonds4

About 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 167007994) has the molecular formula C44H29N3OS and a molecular weight of 647.80 g/mol. Its IUPAC name is 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
PubChem CID167007994
Molecular FormulaC44H29N3OS
Molecular Weight647.80 g/mol
Exact Mass647.20
IUPAC Name2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESCC1Cc2ccc(-c3cccc4oc5ccccc5c34)cc2C=C1c1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C44H29N3OS/c1-26-23-28-21-22-29(31-15-10-19-38-40(31)34-14-5-7-18-37(34)48-38)24-30(28)25-36(26)44-46-42(27-11-3-2-4-12-27)45-43(47-44)35-17-9-16-33-32-13-6-8-20-39(32)49-41(33)35/h2-22,24-26H,23H2,1H3
InChIKeyVZKAJNIBUTXQKW-UHFFFAOYSA-N
XLogP11.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.80
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123498
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723733
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259541
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (CID 167007994) is 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is CC1Cc2ccc(-c3cccc4oc5ccccc5c34)cc2C=C1c1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The InChIKey is VZKAJNIBUTXQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3OS/c1-26-23-28-21-22-29(31-15-10-19-38-40(31)34-14-5-7-18-37(34)48-38)24-30(28)25-36(26)44-46-42(27-11-3-2-4-12-27)45-43(47-44)35-17-9-16-33-32-13-6-8-20-39(32)49-41(33)35/h2-22,24-26H,23H2,1H3.
What are the key properties of 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine has a molecular weight of 647.80 g/mol, XLogP of 11.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167007994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).