2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

C53H33N3OS — CID 170145254

IUPAC2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)CCC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6cc7ccccc7c7c6sc6ccccc67)ccc5c34)n2)=C1
InChIInChI=1S/C53H33N3OS/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)51-54-52(39-26-23-33-13-4-5-14-36(33)29-39)56-53(55-51)43-18-10-19-45-48(43)41-28-27-38(31-46(41)57-45)44-30-37-15-6-7-16-40(37)49-42-17-8-9-20-47(42)58-50(44)49/h1-21,23-24,26-31H,22,25H2
InChIKeyMFEUDFZBKYOLDP-UHFFFAOYSA-N
MW759.93 g/mol
LogP14.71
Rot. Bonds5

About 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (PubChem CID 170145254) has the molecular formula C53H33N3OS and a molecular weight of 759.93 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
PubChem CID170145254
Molecular FormulaC53H33N3OS
Molecular Weight759.93 g/mol
Exact Mass759.23
IUPAC Name2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)CCC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6cc7ccccc7c7c6sc6ccccc67)ccc5c34)n2)=C1
InChIInChI=1S/C53H33N3OS/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)51-54-52(39-26-23-33-13-4-5-14-36(33)29-39)56-53(55-51)43-18-10-19-45-48(43)41-28-27-38(31-46(41)57-45)44-30-37-15-6-7-16-40(37)49-42-17-8-9-20-47(42)58-50(44)49/h1-21,23-24,26-31H,22,25H2
InChIKeyMFEUDFZBKYOLDP-UHFFFAOYSA-N
XLogP14.71
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170220392
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 166042750
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166743055
2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170011861
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
2-(7-naphtho[3,2-b][1]benzothiol-11-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741070
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111
2-dibenzofuran-2-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-6-phenyl-1,3,5-triazine
CID 161458605

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (CID 170145254) is 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is C1=C(c2ccccc2)CCC(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5cc(-c6cc7ccccc7c7c6sc6ccccc67)ccc5c34)n2)=C1.
What is the InChIKey of 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The InChIKey is MFEUDFZBKYOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3OS/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)51-54-52(39-26-23-33-13-4-5-14-36(33)29-39)56-53(55-51)43-18-10-19-45-48(43)41-28-27-38(31-46(41)57-45)44-30-37-15-6-7-16-40(37)49-42-17-8-9-20-47(42)58-50(44)49/h1-21,23-24,26-31H,22,25H2.
What are the key properties of 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine has a molecular weight of 759.93 g/mol, XLogP of 14.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170145254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).