11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine

C217H143N25 — CID 167600666

IUPAC11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.N#Cc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2ccc3c(c2)C2c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4(c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/2C56H36N6.C54H40N6.C51H31N7/c1-6-18-36(19-7-1)50-57-51(37-20-8-2-9-21-37)60-54(59-50)40-31-33-47-45(34-40)49-43-28-16-17-29-46(43)56(47,42-26-14-5-15-27-42)48-35-41(30-32-44(48)49)55-61-52(38-22-10-3-11-23-38)58-53(62-55)39-24-12-4-13-25-39;1-6-16-35(17-7-1)40-26-29-43-46(32-40)50-45-31-28-41(55-59-51(36-18-8-2-9-19-36)57-52(60-55)37-20-10-3-11-21-37)33-47(45)49(43)44-30-27-42(34-48(44)50)56-61-53(38-22-12-4-13-23-38)58-54(62-56)39-24-14-5-15-25-39;1-54(2,3)39-26-29-42-45(32-39)47-41-28-25-37(52-57-48(33-16-8-4-9-17-33)55-49(58-52)34-18-10-5-11-19-34)30-43(41)46(42)40-27-24-38(31-44(40)47)53-59-50(35-20-12-6-13-21-35)56-51(60-53)36-22-14-7-15-23-36;52-30-31-21-24-38-41(27-31)45-40-26-23-36(50-55-46(32-13-5-1-6-14-32)53-47(56-50)33-15-7-2-8-16-33)28-42(40)44(38)39-25-22-37(29-43(39)45)51-57-48(34-17-9-3-10-18-34)54-49(58-51)35-19-11-4-12-20-35/h1-35,49H;1-34,49-50H;4-32,46-47H,1-3H3;1-29,44-45H
InChIKeyJRNJZYYZAQNQTN-UHFFFAOYSA-N
MW3100.71 g/mol
LogP48.22
Rot. Bonds26

About 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine

11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167600666) has the molecular formula C217H143N25 and a molecular weight of 3100.71 g/mol. Its IUPAC name is 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167600666
Molecular FormulaC217H143N25
Molecular Weight3100.71 g/mol
Exact Mass3098.20
IUPAC Name11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.N#Cc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2ccc3c(c2)C2c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4(c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/2C56H36N6.C54H40N6.C51H31N7/c1-6-18-36(19-7-1)50-57-51(37-20-8-2-9-21-37)60-54(59-50)40-31-33-47-45(34-40)49-43-28-16-17-29-46(43)56(47,42-26-14-5-15-27-42)48-35-41(30-32-44(48)49)55-61-52(38-22-10-3-11-23-38)58-53(62-55)39-24-12-4-13-25-39;1-6-16-35(17-7-1)40-26-29-43-46(32-40)50-45-31-28-41(55-59-51(36-18-8-2-9-19-36)57-52(60-55)37-20-10-3-11-21-37)33-47(45)49(43)44-30-27-42(34-48(44)50)56-61-53(38-22-12-4-13-23-38)58-54(62-56)39-24-14-5-15-25-39;1-54(2,3)39-26-29-42-45(32-39)47-41-28-25-37(52-57-48(33-16-8-4-9-17-33)55-49(58-52)34-18-10-5-11-19-34)30-43(41)46(42)40-27-24-38(31-44(40)47)53-59-50(35-20-12-6-13-21-35)56-51(60-53)36-22-14-7-15-23-36;52-30-31-21-24-38-41(27-31)45-40-26-23-36(50-55-46(32-13-5-1-6-14-32)53-47(56-50)33-15-7-2-8-16-33)28-42(40)44(38)39-25-22-37(29-43(39)45)51-57-48(34-17-9-3-10-18-34)54-49(58-51)35-19-11-4-12-20-35/h1-35,49H;1-34,49-50H;4-32,46-47H,1-3H3;1-29,44-45H
InChIKeyJRNJZYYZAQNQTN-UHFFFAOYSA-N
XLogP48.22
TPSA333.15 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003100.71
LogP ≤ 548.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

17-(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11-dicarbonitrile
CID 168897040
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150875
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-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
CID 165150755
4-[4-[3-[3-[9,9-bis(4-tert-butylphenyl)xanthen-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 166031454
2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
CID 170722181
2,4-diphenyl-6-(5-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
CID 170722231
2-[11-[6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151695
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
9,9-diphenyl-7-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 158885257
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 139522997
2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151481

Frequently Asked Questions

What is the IUPAC name of 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine (CID 167600666) is 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine is CC(C)(C)c1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.N#Cc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2ccc3c(c2)C2c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4(c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.
What is the InChIKey of 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JRNJZYYZAQNQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H36N6.C54H40N6.C51H31N7/c1-6-18-36(19-7-1)50-57-51(37-20-8-2-9-21-37)60-54(59-50)40-31-33-47-45(34-40)49-43-28-16-17-29-46(43)56(47,42-26-14-5-15-27-42)48-35-41(30-32-44(48)49)55-61-52(38-22-10-3-11-23-38)58-53(62-55)39-24-12-4-13-25-39;1-6-16-35(17-7-1)40-26-29-43-46(32-40)50-45-31-28-41(55-59-51(36-18-8-2-9-19-36)57-52(60-55)37-20-10-3-11-21-37)33-47(45)49(43)44-30-27-42(34-48(44)50)56-61-53(38-22-12-4-13-23-38)58-54(62-56)39-24-14-5-15-25-39;1-54(2,3)39-26-29-42-45(32-39)47-41-28-25-37(52-57-48(33-16-8-4-9-17-33)55-49(58-52)34-18-10-5-11-19-34)30-43(41)46(42)40-27-24-38(31-44(40)47)53-59-50(35-20-12-6-13-21-35)56-51(60-53)36-22-14-7-15-23-36;52-30-31-21-24-38-41(27-31)45-40-26-23-36(50-55-46(32-13-5-1-6-14-32)53-47(56-50)33-15-7-2-8-16-33)28-42(40)44(38)39-25-22-37(29-43(39)45)51-57-48(34-17-9-3-10-18-34)54-49(58-51)35-19-11-4-12-20-35/h1-35,49H;1-34,49-50H;4-32,46-47H,1-3H3;1-29,44-45H.
What are the key properties of 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine?
11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 3100.71 g/mol, XLogP of 48.22, 26 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-bis(4,6-diphenyl-1,3,5-triazin-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4-carbonitrile;2-[11-tert-butyl-18-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-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]-4,6-diphenyl-1,3,5-triazine;2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167600666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).