9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine

C84H46N8O3S — CID 175612576

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10cccc%11oc%12c%13ccccc%13ccc%12c%10%11)c%10oc%11ccncc%11c9%10)n8)c7)cc7sc8c9ccccc9ccc8c67)cncc5c34)n2)cc1
InChIInChI=1S/C84H46N8O3S/c1-4-19-49(20-5-1)79-87-80(50-21-6-2-7-22-50)90-83(89-79)61-30-16-32-69-72(61)66-46-86-44-64(76(66)95-69)63-42-54(43-70-73(63)60-36-34-48-18-11-13-28-56(48)78(60)96-70)52-25-14-26-53(41-52)82-88-81(51-23-8-3-9-24-51)91-84(92-82)62-38-37-58(77-74(62)65-45-85-40-39-67(65)93-77)57-29-15-31-68-71(57)59-35-33-47-17-10-12-27-55(47)75(59)94-68/h1-46H
InChIKeyDHSKOZVZPUJMFP-UHFFFAOYSA-N
MW1247.41 g/mol
LogP22.22
Rot. Bonds9

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 175612576) has the molecular formula C84H46N8O3S and a molecular weight of 1247.41 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID175612576
Molecular FormulaC84H46N8O3S
Molecular Weight1247.41 g/mol
Exact Mass1246.34
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10cccc%11oc%12c%13ccccc%13ccc%12c%10%11)c%10oc%11ccncc%11c9%10)n8)c7)cc7sc8c9ccccc9ccc8c67)cncc5c34)n2)cc1
InChIInChI=1S/C84H46N8O3S/c1-4-19-49(20-5-1)79-87-80(50-21-6-2-7-22-50)90-83(89-79)61-30-16-32-69-72(61)66-46-86-44-64(76(66)95-69)63-42-54(43-70-73(63)60-36-34-48-18-11-13-28-56(48)78(60)96-70)52-25-14-26-53(41-52)82-88-81(51-23-8-3-9-24-51)91-84(92-82)62-38-37-58(77-74(62)65-45-85-40-39-67(65)93-77)57-29-15-31-68-71(57)59-35-33-47-17-10-12-27-55(47)75(59)94-68/h1-46H
InChIKeyDHSKOZVZPUJMFP-UHFFFAOYSA-N
XLogP22.22
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001247.41
LogP ≤ 522.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridine
CID 168785611
2-(6-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740940
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170201772
6-[2-(4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-h]isoquinoline
CID 174288331
2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine
CID 167579224
9-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 168785246
2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzofuran-7-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzothiol-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzothiol-7-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 167671740
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200545
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785118
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine (CID 175612576) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10cccc%11oc%12c%13ccccc%13ccc%12c%10%11)c%10oc%11ccncc%11c9%10)n8)c7)cc7sc8c9ccccc9ccc8c67)cncc5c34)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is DHSKOZVZPUJMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H46N8O3S/c1-4-19-49(20-5-1)79-87-80(50-21-6-2-7-22-50)90-83(89-79)61-30-16-32-69-72(61)66-46-86-44-64(76(66)95-69)63-42-54(43-70-73(63)60-36-34-48-18-11-13-28-56(48)78(60)96-70)52-25-14-26-53(41-52)82-88-81(51-23-8-3-9-24-51)91-84(92-82)62-38-37-58(77-74(62)65-45-85-40-39-67(65)93-77)57-29-15-31-68-71(57)59-35-33-47-17-10-12-27-55(47)75(59)94-68/h1-46H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 1247.41 g/mol, XLogP of 22.22, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[9-[3-[4-(6-naphtho[1,2-b][1]benzofuran-7-yl-[1]benzofuro[3,2-c]pyridin-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzothiol-7-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 175612576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).