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

C45H27N3OS — CID 155096599

IUPAC2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccccc5)cccc34)nc(-c3cccc4oc5c(-c6ccccc6)cccc5c34)n2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)32-19-10-22-36-40-37(23-12-24-38(40)49-41(32)36)45-47-43(30-17-8-3-9-18-30)46-44(48-45)31-25-26-34-35-21-11-20-33(29-15-6-2-7-16-29)42(35)50-39(34)27-31/h1-27H
InChIKeyYMLFTSYUEAYZEB-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

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

2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine (PubChem CID 155096599) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
PubChem CID155096599
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccccc5)cccc34)nc(-c3cccc4oc5c(-c6ccccc6)cccc5c34)n2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)32-19-10-22-36-40-37(23-12-24-38(40)49-41(32)36)45-47-43(30-17-8-3-9-18-30)46-44(48-45)31-25-26-34-35-21-11-20-33(29-15-6-2-7-16-29)42(35)50-39(34)27-31/h1-27H
InChIKeyYMLFTSYUEAYZEB-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-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 159607952
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159276676
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-dibenzofuran-4-yl-4-[4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzothiophen-4-yl)-6-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165006268
2-phenyl-4-[6-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200988

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine (CID 155096599) is 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccccc5)cccc34)nc(-c3cccc4oc5c(-c6ccccc6)cccc5c34)n2)cc1.
What is the InChIKey of 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The InChIKey is YMLFTSYUEAYZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)32-19-10-22-36-40-37(23-12-24-38(40)49-41(32)36)45-47-43(30-17-8-3-9-18-30)46-44(48-45)31-25-26-34-35-21-11-20-33(29-15-6-2-7-16-29)42(35)50-39(34)27-31/h1-27H.
What are the key properties of 2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-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-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 155096599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).