2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine

C45H27N3OS — CID 155096844

IUPAC2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)sc2c(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5cccc(-c7ccccc7)c56)n4)cccc23)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)31-25-26-33-34-20-10-23-37(42(34)50-39(33)27-31)45-47-43(30-17-8-3-9-18-30)46-44(48-45)36-22-11-21-35-40-32(29-15-6-2-7-16-29)19-12-24-38(40)49-41(35)36/h1-27H
InChIKeyCBUJECLDQBXGGW-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

About 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine

2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine (PubChem CID 155096844) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
PubChem CID155096844
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)sc2c(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5cccc(-c7ccccc7)c56)n4)cccc23)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)31-25-26-33-34-20-10-23-37(42(34)50-39(33)27-31)45-47-43(30-17-8-3-9-18-30)46-44(48-45)36-22-11-21-35-40-32(29-15-6-2-7-16-29)19-12-24-38(40)49-41(35)36/h1-27H
InChIKeyCBUJECLDQBXGGW-UHFFFAOYSA-N
XLogP12.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 155096599
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 155096846
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978300
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 153355157
2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170199717
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine (CID 155096844) is 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)sc2c(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5cccc(-c7ccccc7)c56)n4)cccc23)cc1.
What is the InChIKey of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine?
The InChIKey is CBUJECLDQBXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)31-25-26-33-34-20-10-23-37(42(34)50-39(33)27-31)45-47-43(30-17-8-3-9-18-30)46-44(48-45)36-22-11-21-35-40-32(29-15-6-2-7-16-29)19-12-24-38(40)49-41(35)36/h1-27H.
What are the key properties of 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine?
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine has a molecular weight of 657.80 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine is sourced from PubChem (CID 155096844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).