15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene

C220H124N20O2S2 — CID 163812436

IUPAC15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/2C55H31N5O.2C55H31N5S/c1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-28-35(29-49-50(44)41-21-10-12-25-48(41)61-49)59-46-31-47-42(30-43(46)40-27-26-32-14-7-8-19-36(32)51(40)59)39-23-13-22-38-37-20-9-11-24-45(37)60(47)52(38)39;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)45-29-35(28-44-38-21-10-12-25-49(38)61-52(44)45)59-47-31-48-42(30-43(47)41-27-26-32-14-7-8-19-36(32)50(41)59)40-23-13-22-39-37-20-9-11-24-46(37)60(48)51(39)40;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-28-35(29-49-50(44)41-21-10-12-25-48(41)61-49)59-46-31-47-42(30-43(46)40-27-26-32-14-7-8-19-36(32)51(40)59)39-23-13-22-38-37-20-9-11-24-45(37)60(47)52(38)39;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)45-29-35(28-44-38-21-10-12-25-49(38)61-52(44)45)59-47-31-48-42(30-43(47)41-27-26-32-14-7-8-19-36(32)50(41)59)40-23-13-22-39-37-20-9-11-24-46(37)60(48)51(39)40/h4*1-31H
InChIKeyNOLJAEDKYBNTGU-UHFFFAOYSA-N
MW3143.68 g/mol
LogP57.63
Rot. Bonds16

About 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene

15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene (PubChem CID 163812436) has the molecular formula C220H124N20O2S2 and a molecular weight of 3143.68 g/mol. Its IUPAC name is 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene.

Molecular Properties

Compound Name15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene
PubChem CID163812436
Molecular FormulaC220H124N20O2S2
Molecular Weight3143.68 g/mol
Exact Mass3140.97
IUPAC Name15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/2C55H31N5O.2C55H31N5S/c1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-28-35(29-49-50(44)41-21-10-12-25-48(41)61-49)59-46-31-47-42(30-43(46)40-27-26-32-14-7-8-19-36(32)51(40)59)39-23-13-22-38-37-20-9-11-24-45(37)60(47)52(38)39;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)45-29-35(28-44-38-21-10-12-25-49(38)61-52(44)45)59-47-31-48-42(30-43(47)41-27-26-32-14-7-8-19-36(32)50(41)59)40-23-13-22-39-37-20-9-11-24-46(37)60(48)51(39)40;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-28-35(29-49-50(44)41-21-10-12-25-48(41)61-49)59-46-31-47-42(30-43(46)40-27-26-32-14-7-8-19-36(32)51(40)59)39-23-13-22-38-37-20-9-11-24-45(37)60(47)52(38)39;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)45-29-35(28-44-38-21-10-12-25-49(38)61-52(44)45)59-47-31-48-42(30-43(47)41-27-26-32-14-7-8-19-36(32)50(41)59)40-23-13-22-39-37-20-9-11-24-46(37)60(48)51(39)40/h4*1-31H
InChIKeyNOLJAEDKYBNTGU-UHFFFAOYSA-N
XLogP57.63
TPSA218.32 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003143.68
LogP ≤ 557.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?
The IUPAC name of 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene (CID 163812436) is 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene.
What is the SMILES notation for 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?
The canonical SMILES for 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc6c(cc5c5ccc7ccccc7c54)c4cccc5c7ccccc7n6c54)cc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?
The InChIKey is NOLJAEDKYBNTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H31N5O.2C55H31N5S/c1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-28-35(29-49-50(44)41-21-10-12-25-48(41)61-49)59-46-31-47-42(30-43(46)40-27-26-32-14-7-8-19-36(32)51(40)59)39-23-13-22-38-37-20-9-11-24-45(37)60(47)52(38)39;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)45-29-35(28-44-38-21-10-12-25-49(38)61-52(44)45)59-47-31-48-42(30-43(47)41-27-26-32-14-7-8-19-36(32)50(41)59)40-23-13-22-39-37-20-9-11-24-46(37)60(48)51(39)40;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)44-28-35(29-49-50(44)41-21-10-12-25-48(41)61-49)59-46-31-47-42(30-43(46)40-27-26-32-14-7-8-19-36(32)51(40)59)39-23-13-22-38-37-20-9-11-24-45(37)60(47)52(38)39;1-3-15-33(16-4-1)53-56-54(34-17-5-2-6-18-34)58-55(57-53)45-29-35(28-44-38-21-10-12-25-49(38)61-52(44)45)59-47-31-48-42(30-43(47)41-27-26-32-14-7-8-19-36(32)50(41)59)40-23-13-22-39-37-20-9-11-24-46(37)60(48)51(39)40/h4*1-31H.
What are the key properties of 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene?
15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene has a molecular weight of 3143.68 g/mol, XLogP of 57.63, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.08,13.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 163812436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).