8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine

C80H44N8O2 — CID 175614349

IUPAC8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4cc(-c6ccc7ccc(-c8nc(-c9ccc%10ccc%11ccccc%11c%10c9)nc(-c9cccc%10oc%11ncccc%11c9%10)n8)cc7c6)ccc4-5)c4oc5ncccc5c34)n2)cc1
InChIInChI=1S/C80H44N8O2/c1-3-14-48(15-4-1)73-83-74(49-16-5-2-6-17-49)86-78(85-73)62-36-35-58(72-71(62)64-23-12-38-82-80(64)90-72)56-40-52-18-9-20-60-66-42-51(33-34-59(66)67(44-56)69(52)60)50-30-25-45-26-31-53(41-55(45)39-50)75-84-76(54-32-29-47-28-27-46-13-7-8-19-57(46)65(47)43-54)88-77(87-75)61-21-10-24-68-70(61)63-22-11-37-81-79(63)89-68/h1-44H
InChIKeyMYPDIVYLTNIGPK-UHFFFAOYSA-N
MW1149.29 g/mol
LogP20.24
Rot. Bonds8

About 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine

8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 175614349) has the molecular formula C80H44N8O2 and a molecular weight of 1149.29 g/mol. Its IUPAC name is 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID175614349
Molecular FormulaC80H44N8O2
Molecular Weight1149.29 g/mol
Exact Mass1148.36
IUPAC Name8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4cc(-c6ccc7ccc(-c8nc(-c9ccc%10ccc%11ccccc%11c%10c9)nc(-c9cccc%10oc%11ncccc%11c9%10)n8)cc7c6)ccc4-5)c4oc5ncccc5c34)n2)cc1
InChIInChI=1S/C80H44N8O2/c1-3-14-48(15-4-1)73-83-74(49-16-5-2-6-17-49)86-78(85-73)62-36-35-58(72-71(62)64-23-12-38-82-80(64)90-72)56-40-52-18-9-20-60-66-42-51(33-34-59(66)67(44-56)69(52)60)50-30-25-45-26-31-53(41-55(45)39-50)75-84-76(54-32-29-47-28-27-46-13-7-8-19-57(46)65(47)43-54)88-77(87-75)61-21-10-24-68-70(61)63-22-11-37-81-79(63)89-68/h1-44H
InChIKeyMYPDIVYLTNIGPK-UHFFFAOYSA-N
XLogP20.24
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.29
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168784897
8-naphthalen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 166801432
5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785698
2-fluoranthen-8-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine
CID 166848284
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785351
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
5-(4-benzo[g]phenanthren-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785356
2-dibenzofuran-4-yl-4-phenanthren-3-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742749
5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785670
2-[8-[8-[9-[4-(8-chrysen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]fluoranthen-3-yl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 155470980
4-(4-dibenzofuran-1-yl-6-fluoranthen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785429

Frequently Asked Questions

What is the IUPAC name of 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 175614349) is 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6c(cccc6c4)-c4cc(-c6ccc7ccc(-c8nc(-c9ccc%10ccc%11ccccc%11c%10c9)nc(-c9cccc%10oc%11ncccc%11c9%10)n8)cc7c6)ccc4-5)c4oc5ncccc5c34)n2)cc1.
What is the InChIKey of 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MYPDIVYLTNIGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H44N8O2/c1-3-14-48(15-4-1)73-83-74(49-16-5-2-6-17-49)86-78(85-73)62-36-35-58(72-71(62)64-23-12-38-82-80(64)90-72)56-40-52-18-9-20-60-66-42-51(33-34-59(66)67(44-56)69(52)60)50-30-25-45-26-31-53(41-55(45)39-50)75-84-76(54-32-29-47-28-27-46-13-7-8-19-57(46)65(47)43-54)88-77(87-75)61-21-10-24-68-70(61)63-22-11-37-81-79(63)89-68/h1-44H.
What are the key properties of 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1149.29 g/mol, XLogP of 20.24, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-[7-[4-([1]benzofuro[2,3-b]pyridin-5-yl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]fluoranthen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 175614349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).