2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C55H35N3OS — CID 171762111

IUPAC2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccccc4c3)n2)CC2Oc3ccccc3C2=C1
InChIInChI=1S/C55H35N3OS/c1-3-13-34(14-4-1)35-25-27-37(28-26-35)53-56-54(39-29-30-44-43-19-9-10-24-49(43)59-50(44)33-39)58-55(57-53)40-31-38-17-7-8-18-41(38)48(32-40)47-23-12-22-46-45-21-11-20-42(51(45)60-52(46)47)36-15-5-2-6-16-36/h1-32,50H,33H2
InChIKeyIIVJUYCGSLBJDU-UHFFFAOYSA-N
MW785.97 g/mol
LogP14.36
Rot. Bonds6

About 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 171762111) has the molecular formula C55H35N3OS and a molecular weight of 785.97 g/mol. Its IUPAC name is 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID171762111
Molecular FormulaC55H35N3OS
Molecular Weight785.97 g/mol
Exact Mass785.25
IUPAC Name2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccccc4c3)n2)CC2Oc3ccccc3C2=C1
InChIInChI=1S/C55H35N3OS/c1-3-13-34(14-4-1)35-25-27-37(28-26-35)53-56-54(39-29-30-44-43-19-9-10-24-49(43)59-50(44)33-39)58-55(57-53)40-31-38-17-7-8-18-41(38)48(32-40)47-23-12-22-46-45-21-11-20-42(51(45)60-52(46)47)36-15-5-2-6-16-36/h1-32,50H,33H2
InChIKeyIIVJUYCGSLBJDU-UHFFFAOYSA-N
XLogP14.36
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.97
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156574620
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 161337871
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 163730867
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942463
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2,4-diphenyl-6-[3-phenyl-5-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650920
2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156574588
2,4-bis(4-phenylphenyl)-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-1,3,5-triazine
CID 139447186
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-1,3,5-triazine
CID 159674489

Frequently Asked Questions

What is the IUPAC name of 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 171762111) is 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine is C1=C(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccccc4c3)n2)CC2Oc3ccccc3C2=C1.
What is the InChIKey of 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IIVJUYCGSLBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3OS/c1-3-13-34(14-4-1)35-25-27-37(28-26-35)53-56-54(39-29-30-44-43-19-9-10-24-49(43)59-50(44)33-39)58-55(57-53)40-31-38-17-7-8-18-41(38)48(32-40)47-23-12-22-46-45-21-11-20-42(51(45)60-52(46)47)36-15-5-2-6-16-36/h1-32,50H,33H2.
What are the key properties of 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 785.97 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4a-dihydrodibenzofuran-3-yl)-4-[4-(6-phenyldibenzothiophen-4-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171762111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).