8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

C72H46N8S2 — CID 145421918

IUPAC8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4c5ccc(-c6ccc(C7=NC(c8ccc(-c9c%10ccccc%10nc%10c9sc9ccccc9%10)cc8)NC(c8ccccc8)=N7)cc6)cc5nc5sc6ccccc6c45)cc3)=N2)cc1
InChIInChI=1S/C72H46N8S2/c1-4-16-46(17-5-1)66-75-67(47-18-6-2-7-19-47)77-70(76-66)50-36-30-44(31-37-50)61-54-41-40-52(42-58(54)74-72-63(61)55-23-11-14-26-59(55)82-72)43-28-34-49(35-29-43)69-78-68(48-20-8-3-9-21-48)79-71(80-69)51-38-32-45(33-39-51)62-53-22-10-13-25-57(53)73-64-56-24-12-15-27-60(56)81-65(62)64/h1-42,66,71H,(H,75,76,77)(H,78,79,80)
InChIKeyRIFRDVPYLURDLE-UHFFFAOYSA-N
MW1087.35 g/mol
LogP17.51
Rot. Bonds9

About 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (PubChem CID 145421918) has the molecular formula C72H46N8S2 and a molecular weight of 1087.35 g/mol. Its IUPAC name is 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.

Molecular Properties

Compound Name8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
PubChem CID145421918
Molecular FormulaC72H46N8S2
Molecular Weight1087.35 g/mol
Exact Mass1086.33
IUPAC Name8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4c5ccc(-c6ccc(C7=NC(c8ccc(-c9c%10ccccc%10nc%10c9sc9ccccc9%10)cc8)NC(c8ccccc8)=N7)cc6)cc5nc5sc6ccccc6c45)cc3)=N2)cc1
InChIInChI=1S/C72H46N8S2/c1-4-16-46(17-5-1)66-75-67(47-18-6-2-7-19-47)77-70(76-66)50-36-30-44(31-37-50)61-54-41-40-52(42-58(54)74-72-63(61)55-23-11-14-26-59(55)82-72)43-28-34-49(35-29-43)69-78-68(48-20-8-3-9-21-48)79-71(80-69)51-38-32-45(33-39-51)62-53-22-10-13-25-57(53)73-64-56-24-12-15-27-60(56)81-65(62)64/h1-42,66,71H,(H,75,76,77)(H,78,79,80)
InChIKeyRIFRDVPYLURDLE-UHFFFAOYSA-N
XLogP17.51
TPSA99.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.35
LogP ≤ 517.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline with MolForge

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Related Compounds

4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[2,3-c]quinoline
CID 146489531
10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 155019035
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline
CID 136931578
4-dibenzothiophen-3-yl-2-phenyl-6-(3-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167233632
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662837
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[3,2-b]quinoline
CID 138661918
6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
CID 147640194
1-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-8-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridine
CID 155327328
11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138661940
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
2-[4-[6-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339084

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The IUPAC name of 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (CID 145421918) is 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.
What is the SMILES notation for 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The canonical SMILES for 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4c5ccc(-c6ccc(C7=NC(c8ccc(-c9c%10ccccc%10nc%10c9sc9ccccc9%10)cc8)NC(c8ccccc8)=N7)cc6)cc5nc5sc6ccccc6c45)cc3)=N2)cc1.
What is the InChIKey of 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The InChIKey is RIFRDVPYLURDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N8S2/c1-4-16-46(17-5-1)66-75-67(47-18-6-2-7-19-47)77-70(76-66)50-36-30-44(31-37-50)61-54-41-40-52(42-58(54)74-72-63(61)55-23-11-14-26-59(55)82-72)43-28-34-49(35-29-43)69-78-68(48-20-8-3-9-21-48)79-71(80-69)51-38-32-45(33-39-51)62-53-22-10-13-25-57(53)73-64-56-24-12-15-27-60(56)81-65(62)64/h1-42,66,71H,(H,75,76,77)(H,78,79,80).
What are the key properties of 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline has a molecular weight of 1087.35 g/mol, XLogP of 17.51, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is sourced from PubChem (CID 145421918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).