2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine

C52H33N3OS — CID 170128815

IUPAC2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine
SMILESC/C=C\c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cc7c8ccccc8sc7c7ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C52H33N3OS/c1-2-13-32-14-6-7-17-37(32)33-24-26-35(27-25-33)51-53-50(34-15-4-3-5-16-34)54-52(55-51)42-21-12-22-45-48(42)41-29-28-36(30-46(41)56-45)43-31-44-39-19-10-11-23-47(39)57-49(44)40-20-9-8-18-38(40)43/h2-31H,1H3/b13-2-
InChIKeyVKGALNSFDMQITC-SILLCRNTSA-N
MW747.92 g/mol
LogP14.66
Rot. Bonds6

About 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine

2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 170128815) has the molecular formula C52H33N3OS and a molecular weight of 747.92 g/mol. Its IUPAC name is 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine
PubChem CID170128815
Molecular FormulaC52H33N3OS
Molecular Weight747.92 g/mol
Exact Mass747.23
IUPAC Name2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine
SMILESC/C=C\c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cc7c8ccccc8sc7c7ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C52H33N3OS/c1-2-13-32-14-6-7-17-37(32)33-24-26-35(27-25-33)51-53-50(34-15-4-3-5-16-34)54-52(55-51)42-21-12-22-45-48(42)41-29-28-36(30-46(41)56-45)43-31-44-39-19-10-11-23-47(39)57-49(44)40-20-9-8-18-38(40)43/h2-31H,1H3/b13-2-
InChIKeyVKGALNSFDMQITC-SILLCRNTSA-N
XLogP14.66
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.92
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167673267
2-(3-dibenzothiophen-4-ylphenyl)-4-(9-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 139404320
2-(7-dibenzothiophen-4-yldibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 168769681
2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176773453
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978573
CID 174104062
CID 174104062
2,4-diphenyl-6-[9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201721
2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201719
4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152847637

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine (CID 170128815) is 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine is C/C=C\c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6cc7c8ccccc8sc7c7ccccc67)ccc5c34)n2)cc1.
What is the InChIKey of 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is VKGALNSFDMQITC-SILLCRNTSA-N. The full InChI is InChI=1S/C52H33N3OS/c1-2-13-32-14-6-7-17-37(32)33-24-26-35(27-25-33)51-53-50(34-15-4-3-5-16-34)54-52(55-51)42-21-12-22-45-48(42)41-29-28-36(30-46(41)56-45)43-31-44-39-19-10-11-23-47(39)57-49(44)40-20-9-8-18-38(40)43/h2-31H,1H3/b13-2-.
What are the key properties of 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine?
2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 747.92 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-4-phenyl-6-[4-[2-[(Z)-prop-1-enyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 170128815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).