5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

C94H52N8O3S — CID 155018823

IUPAC5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)nc(-c3ccc(-c4cccc(-c5nc(-c6cccc(-c7cccc(-c8nc9c%10ccccc%10oc9c9ccccc89)c7)c6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c4c3oc3c5ccccc5ccc34)n2)cc1
InChIInChI=1S/C94H52N8O3S/c1-2-22-54(23-3-1)89-97-92(62-31-19-28-59(52-62)81-67-35-7-9-37-69(67)87-83(96-81)72-39-11-14-43-77(72)104-87)100-93(99-89)74-48-47-63(79-73-46-45-53-21-4-5-32-64(53)84(73)105-85(74)79)57-26-18-30-61(51-57)91-98-90(101-94(102-91)75-41-20-40-70-65-33-12-15-44-78(65)106-88(70)75)60-29-17-25-56(50-60)55-24-16-27-58(49-55)80-66-34-6-8-36-68(66)86-82(95-80)71-38-10-13-42-76(71)103-86/h1-52H
InChIKeyVYLQUYLFMVNFBR-UHFFFAOYSA-N
MW1373.57 g/mol
LogP25.04
Rot. Bonds10

About 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline

5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 155018823) has the molecular formula C94H52N8O3S and a molecular weight of 1373.57 g/mol. Its IUPAC name is 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID155018823
Molecular FormulaC94H52N8O3S
Molecular Weight1373.57 g/mol
Exact Mass1372.39
IUPAC Name5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)nc(-c3ccc(-c4cccc(-c5nc(-c6cccc(-c7cccc(-c8nc9c%10ccccc%10oc9c9ccccc89)c7)c6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c4c3oc3c5ccccc5ccc34)n2)cc1
InChIInChI=1S/C94H52N8O3S/c1-2-22-54(23-3-1)89-97-92(62-31-19-28-59(52-62)81-67-35-7-9-37-69(67)87-83(96-81)72-39-11-14-43-77(72)104-87)100-93(99-89)74-48-47-63(79-73-46-45-53-21-4-5-32-64(53)84(73)105-85(74)79)57-26-18-30-61(51-57)91-98-90(101-94(102-91)75-41-20-40-70-65-33-12-15-44-78(65)106-88(70)75)60-29-17-25-56(50-60)55-24-16-27-58(49-55)80-66-34-6-8-36-68(66)86-82(95-80)71-38-10-13-42-76(71)103-86/h1-52H
InChIKeyVYLQUYLFMVNFBR-UHFFFAOYSA-N
XLogP25.04
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.57
LogP ≤ 525.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline with MolForge

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Related Compounds

5-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163488407
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163488405
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine
CID 176853685
2-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 155050043
4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309403
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
4-dibenzothiophen-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 153309418

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (CID 155018823) is 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)nc(-c3ccc(-c4cccc(-c5nc(-c6cccc(-c7cccc(-c8nc9c%10ccccc%10oc9c9ccccc89)c7)c6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c4c3oc3c5ccccc5ccc34)n2)cc1.
What is the InChIKey of 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is VYLQUYLFMVNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H52N8O3S/c1-2-22-54(23-3-1)89-97-92(62-31-19-28-59(52-62)81-67-35-7-9-37-69(67)87-83(96-81)72-39-11-14-43-77(72)104-87)100-93(99-89)74-48-47-63(79-73-46-45-53-21-4-5-32-64(53)84(73)105-85(74)79)57-26-18-30-61(51-57)91-98-90(101-94(102-91)75-41-20-40-70-65-33-12-15-44-78(65)106-88(70)75)60-29-17-25-56(50-60)55-24-16-27-58(49-55)80-66-34-6-8-36-68(66)86-82(95-80)71-38-10-13-42-76(71)103-86/h1-52H.
What are the key properties of 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline?
5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 1373.57 g/mol, XLogP of 25.04, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[7-[3-[4-[3-[3-([1]benzofuro[3,2-c]isoquinolin-5-yl)phenyl]phenyl]-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 155018823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).