2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C71H46N6S — CID 139312544

IUPAC2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2ccccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2sc3c(-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4ccccc4c3c2c1
InChIInChI=1S/C71H46N6S/c1-45-42-60(56-38-18-16-34-52(56)54-36-20-22-40-58(54)70-74-66(46-24-6-2-7-25-46)72-67(75-70)47-26-8-3-9-27-47)64-62(43-45)63-51-33-15-14-32-50(51)44-61(65(63)78-64)57-39-19-17-35-53(57)55-37-21-23-41-59(55)71-76-68(48-28-10-4-11-29-48)73-69(77-71)49-30-12-5-13-31-49/h2-44H,1H3
InChIKeySEPKKQCYTKJAEF-UHFFFAOYSA-N
MW1015.26 g/mol
LogP18.56
Rot. Bonds10

About 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 139312544) has the molecular formula C71H46N6S and a molecular weight of 1015.26 g/mol. Its IUPAC name is 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID139312544
Molecular FormulaC71H46N6S
Molecular Weight1015.26 g/mol
Exact Mass1014.35
IUPAC Name2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2ccccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2sc3c(-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4ccccc4c3c2c1
InChIInChI=1S/C71H46N6S/c1-45-42-60(56-38-18-16-34-52(56)54-36-20-22-40-58(54)70-74-66(46-24-6-2-7-25-46)72-67(75-70)47-26-8-3-9-27-47)64-62(43-45)63-51-33-15-14-32-50(51)44-61(65(63)78-64)57-39-19-17-35-53(57)55-37-21-23-41-59(55)71-76-68(48-28-10-4-11-29-48)73-69(77-71)49-30-12-5-13-31-49/h2-44H,1H3
InChIKeySEPKKQCYTKJAEF-UHFFFAOYSA-N
XLogP18.56
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.26
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[3-[3-[6-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-1,3,5-triazine
CID 134430186
2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139312034
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 166042750
2-dibenzofuran-1-yl-4-phenyl-6-(5-phenyl-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-14-yl)-1,3,5-triazine
CID 170268719
6,8-bis[3-(3,5-diphenylphenyl)phenyl]naphtho[2,1-b][1]benzothiole
CID 139312538
2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 156574856
2-phenyl-4-(4-phenylphenyl)-6-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)-1,3,5-triazine
CID 170268392
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
2-naphthalen-2-yl-4-phenyl-6-[2-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)phenyl]-1,3,5-triazine
CID 163967954
2-naphtho[1,2-b][1]benzothiol-6-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 174310512
2-(4-phenanthren-3-yl-6,8-diphenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 149323355
2,4-diphenyl-6-[2-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-15-yl)phenyl]-1,3,5-triazine
CID 170268962

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 139312544) is 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2ccccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2sc3c(-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4ccccc4c3c2c1.
What is the InChIKey of 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SEPKKQCYTKJAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N6S/c1-45-42-60(56-38-18-16-34-52(56)54-36-20-22-40-58(54)70-74-66(46-24-6-2-7-25-46)72-67(75-70)47-26-8-3-9-27-47)64-62(43-45)63-51-33-15-14-32-50(51)44-61(65(63)78-64)57-39-19-17-35-53(57)55-37-21-23-41-59(55)71-76-68(48-28-10-4-11-29-48)73-69(77-71)49-30-12-5-13-31-49/h2-44H,1H3.
What are the key properties of 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1015.26 g/mol, XLogP of 18.56, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[6-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-methylnaphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 139312544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).