2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine

C268H164N18O6 — CID 167556867

IUPAC2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccc%10c(c9)C9(c%11ccccc%11O%10)c%10ccccc%10-c%10ccccc%109)cc8)n7)cc6)ccc54)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cc%10ccccc%10o9)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9coc%10ccccc9%10)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4coc5ccccc45)c3)n2)cc1
InChIInChI=1S/C112H68N6O2.2C78H48N6O2/c1-3-21-71(22-4-1)105-113-107(117-109(115-105)75-51-43-69(44-52-75)79-57-61-101-97(65-79)111(95-35-17-19-37-99(95)119-101)91-31-13-9-25-81(91)82-26-10-14-32-92(82)111)73-47-39-67(40-48-73)77-55-59-87-89(63-77)103-85-29-7-8-30-86(85)104(87)90-64-78(56-60-88(90)103)68-41-49-74(50-42-68)108-114-106(72-23-5-2-6-24-72)116-110(118-108)76-53-45-70(46-54-76)80-58-62-102-98(66-80)112(96-36-18-20-38-100(96)120-102)93-33-15-11-27-83(93)84-28-12-16-34-94(84)112;1-3-15-49(16-4-1)73-79-75(83-77(81-73)59-23-13-21-55(41-59)69-45-57-19-7-11-27-67(57)85-69)51-33-29-47(30-34-51)53-37-39-63-65(43-53)71-61-25-9-10-26-62(61)72(63)66-44-54(38-40-64(66)71)48-31-35-52(36-32-48)76-80-74(50-17-5-2-6-18-50)82-78(84-76)60-24-14-22-56(42-60)70-46-58-20-8-12-28-68(58)86-70;1-3-15-49(16-4-1)73-79-75(83-77(81-73)57-21-13-19-55(41-57)67-45-85-69-27-11-9-23-59(67)69)51-33-29-47(30-34-51)53-37-39-63-65(43-53)71-61-25-7-8-26-62(61)72(63)66-44-54(38-40-64(66)71)48-31-35-52(36-32-48)76-80-74(50-17-5-2-6-18-50)82-78(84-76)58-22-14-20-56(42-58)68-46-86-70-28-12-10-24-60(68)70/h1-66,103-104H;2*1-46,71-72H
InChIKeyDCUNBRYMOOAMJY-UHFFFAOYSA-N
MW3732.38 g/mol
LogP65.06
Rot. Bonds30

About 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine

2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (PubChem CID 167556867) has the molecular formula C268H164N18O6 and a molecular weight of 3732.38 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
PubChem CID167556867
Molecular FormulaC268H164N18O6
Molecular Weight3732.38 g/mol
Exact Mass3729.31
IUPAC Name2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccc%10c(c9)C9(c%11ccccc%11O%10)c%10ccccc%10-c%10ccccc%109)cc8)n7)cc6)ccc54)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cc%10ccccc%10o9)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9coc%10ccccc9%10)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4coc5ccccc45)c3)n2)cc1
InChIInChI=1S/C112H68N6O2.2C78H48N6O2/c1-3-21-71(22-4-1)105-113-107(117-109(115-105)75-51-43-69(44-52-75)79-57-61-101-97(65-79)111(95-35-17-19-37-99(95)119-101)91-31-13-9-25-81(91)82-26-10-14-32-92(82)111)73-47-39-67(40-48-73)77-55-59-87-89(63-77)103-85-29-7-8-30-86(85)104(87)90-64-78(56-60-88(90)103)68-41-49-74(50-42-68)108-114-106(72-23-5-2-6-24-72)116-110(118-108)76-53-45-70(46-54-76)80-58-62-102-98(66-80)112(96-36-18-20-38-100(96)120-102)93-33-15-11-27-83(93)84-28-12-16-34-94(84)112;1-3-15-49(16-4-1)73-79-75(83-77(81-73)59-23-13-21-55(41-59)69-45-57-19-7-11-27-67(57)85-69)51-33-29-47(30-34-51)53-37-39-63-65(43-53)71-61-25-9-10-26-62(61)72(63)66-44-54(38-40-64(66)71)48-31-35-52(36-32-48)76-80-74(50-17-5-2-6-18-50)82-78(84-76)60-24-14-22-56(42-60)70-46-58-20-8-12-28-68(58)86-70;1-3-15-49(16-4-1)73-79-75(83-77(81-73)57-21-13-19-55(41-57)67-45-85-69-27-11-9-23-59(67)69)51-33-29-47(30-34-51)53-37-39-63-65(43-53)71-61-25-7-8-26-62(61)72(63)66-44-54(38-40-64(66)71)48-31-35-52(36-32-48)76-80-74(50-17-5-2-6-18-50)82-78(84-76)58-22-14-20-56(42-58)68-46-86-70-28-12-10-24-60(68)70/h1-66,103-104H;2*1-46,71-72H
InChIKeyDCUNBRYMOOAMJY-UHFFFAOYSA-N
XLogP65.06
TPSA303.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms292
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003732.38
LogP ≤ 565.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (CID 167556867) is 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccc%10c(c9)C9(c%11ccccc%11O%10)c%10ccccc%10-c%10ccccc%109)cc8)n7)cc6)ccc54)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cc%10ccccc%10o9)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9coc%10ccccc9%10)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4coc5ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
The InChIKey is DCUNBRYMOOAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H68N6O2.2C78H48N6O2/c1-3-21-71(22-4-1)105-113-107(117-109(115-105)75-51-43-69(44-52-75)79-57-61-101-97(65-79)111(95-35-17-19-37-99(95)119-101)91-31-13-9-25-81(91)82-26-10-14-32-92(82)111)73-47-39-67(40-48-73)77-55-59-87-89(63-77)103-85-29-7-8-30-86(85)104(87)90-64-78(56-60-88(90)103)68-41-49-74(50-42-68)108-114-106(72-23-5-2-6-24-72)116-110(118-108)76-53-45-70(46-54-76)80-58-62-102-98(66-80)112(96-36-18-20-38-100(96)120-102)93-33-15-11-27-83(93)84-28-12-16-34-94(84)112;1-3-15-49(16-4-1)73-79-75(83-77(81-73)59-23-13-21-55(41-59)69-45-57-19-7-11-27-67(57)85-69)51-33-29-47(30-34-51)53-37-39-63-65(43-53)71-61-25-9-10-26-62(61)72(63)66-44-54(38-40-64(66)71)48-31-35-52(36-32-48)76-80-74(50-17-5-2-6-18-50)82-78(84-76)60-24-14-22-56(42-60)70-46-58-20-8-12-28-68(58)86-70;1-3-15-49(16-4-1)73-79-75(83-77(81-73)57-21-13-19-55(41-57)67-45-85-69-27-11-9-23-59(67)69)51-33-29-47(30-34-51)53-37-39-63-65(43-53)71-61-25-7-8-26-62(61)72(63)66-44-54(38-40-64(66)71)48-31-35-52(36-32-48)76-80-74(50-17-5-2-6-18-50)82-78(84-76)58-22-14-20-56(42-58)68-46-86-70-28-12-10-24-60(68)70/h1-66,103-104H;2*1-46,71-72H.
What are the key properties of 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine has a molecular weight of 3732.38 g/mol, XLogP of 65.06, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-(1-benzofuran-3-yl)phenyl]-4-[4-[11-[4-[4-[3-(1-benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167556867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).