2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine

C51H35N3OS — CID 134199053

IUPAC2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc(C4=c5c(sc6ccc(-c7cccc(-c8ccccc8)c7)cc56)=CCC4)cc3)n2)c2oc3ccccc3c2CC1
InChIInChI=1S/C51H35N3OS/c1-3-12-32(13-4-1)36-16-9-17-37(30-36)38-28-29-45-43(31-38)47-39(19-11-23-46(47)56-45)33-24-26-35(27-25-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)42-21-10-20-41-40-18-7-8-22-44(40)55-48(41)42/h1-9,12-18,21-31H,10-11,19-20H2
InChIKeyRMLJBTZMHPOVAA-UHFFFAOYSA-N
MW737.93 g/mol
LogP11.65
Rot. Bonds6

About 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine

2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 134199053) has the molecular formula C51H35N3OS and a molecular weight of 737.93 g/mol. Its IUPAC name is 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine
PubChem CID134199053
Molecular FormulaC51H35N3OS
Molecular Weight737.93 g/mol
Exact Mass737.25
IUPAC Name2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccc(C4=c5c(sc6ccc(-c7cccc(-c8ccccc8)c7)cc56)=CCC4)cc3)n2)c2oc3ccccc3c2CC1
InChIInChI=1S/C51H35N3OS/c1-3-12-32(13-4-1)36-16-9-17-37(30-36)38-28-29-45-43(31-38)47-39(19-11-23-46(47)56-45)33-24-26-35(27-25-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)42-21-10-20-41-40-18-7-8-22-44(40)55-48(41)42/h1-9,12-18,21-31H,10-11,19-20H2
InChIKeyRMLJBTZMHPOVAA-UHFFFAOYSA-N
XLogP11.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.93
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-[2-(4-phenylphenyl)phenyl]phenyl]-2,3-dihydrodibenzothiophen-1-yl]-1,3,5-triazine
CID 134198977
12-[4-[4-(1,2-dihydrodibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146360499
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 148742636
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199430
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 155329850
2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
CID 167182649
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine (CID 134199053) is 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3ccc(C4=c5c(sc6ccc(-c7cccc(-c8ccccc8)c7)cc56)=CCC4)cc3)n2)c2oc3ccccc3c2CC1.
What is the InChIKey of 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is RMLJBTZMHPOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3OS/c1-3-12-32(13-4-1)36-16-9-17-37(30-36)38-28-29-45-43(31-38)47-39(19-11-23-46(47)56-45)33-24-26-35(27-25-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)42-21-10-20-41-40-18-7-8-22-44(40)55-48(41)42/h1-9,12-18,21-31H,10-11,19-20H2.
What are the key properties of 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine?
2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 737.93 g/mol, XLogP of 11.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 134199053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).