10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene

C162H92N12S2 — CID 158849639

IUPAC10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene
SMILESc1cc2cc(c1)c1ccc3ccc4ccc5ccc(cc5c4c3c1)c1nc(-c3cccc4sc5ccccc5c34)nc(n1)c1cccc2c1.c1ccc(-c2nc3nc(n2)c2ccc4ccc5c(cc(c6ccccc6c6cccc3c6)c3ccccc53)c4c2)cc1.c1ccc(-c2nc3nc(n2)c2ccc4ccc5ccc6ccc(cc6c5c4c2)c2cccc(c2)c2cccc3c2)cc1.c1ccc2c(c1)ccc1c3cc(-c4nc5nc(n4)c4cccc6sc7ccc(cc7c64)c4ccccc54)ccc3ccc21
InChIInChI=1S/C45H25N3S.C39H21N3S.2C39H23N3/c1-2-12-39-35(10-1)42-36(11-5-13-40(42)49-39)45-47-43-33-9-4-8-31(23-33)29-6-3-7-30(22-29)32-20-16-26-14-18-28-19-15-27-17-21-34(44(46-43)48-45)25-38(27)41(28)37(26)24-32;1-2-7-26-22(6-1)14-18-29-28(26)17-15-23-12-13-25(21-32(23)29)37-40-38-30-9-4-3-8-27(30)24-16-19-34-33(20-24)36-31(39(41-37)42-38)10-5-11-35(36)43-34;1-2-6-27(7-3-1)37-40-38-32-11-5-10-30(21-32)28-8-4-9-29(20-28)31-18-14-24-12-16-26-17-13-25-15-19-33(39(41-37)42-38)23-35(25)36(26)34(24)22-31;1-2-9-25(10-3-1)37-40-38-27-12-8-11-26(21-27)29-13-4-5-14-30(29)35-23-36-33(31-15-6-7-16-32(31)35)20-19-24-17-18-28(22-34(24)36)39(41-37)42-38/h1-25H;1-21H;2*1-23H
InChIKeyIZGZMFDIRJZIBQ-UHFFFAOYSA-N
MW2270.74 g/mol
LogP43.71
Rot. Bonds4

About 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene

10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene (PubChem CID 158849639) has the molecular formula C162H92N12S2 and a molecular weight of 2270.74 g/mol. Its IUPAC name is 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene.

Molecular Properties

Compound Name10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene
PubChem CID158849639
Molecular FormulaC162H92N12S2
Molecular Weight2270.74 g/mol
Exact Mass2268.70
IUPAC Name10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene
SMILESc1cc2cc(c1)c1ccc3ccc4ccc5ccc(cc5c4c3c1)c1nc(-c3cccc4sc5ccccc5c34)nc(n1)c1cccc2c1.c1ccc(-c2nc3nc(n2)c2ccc4ccc5c(cc(c6ccccc6c6cccc3c6)c3ccccc53)c4c2)cc1.c1ccc(-c2nc3nc(n2)c2ccc4ccc5ccc6ccc(cc6c5c4c2)c2cccc(c2)c2cccc3c2)cc1.c1ccc2c(c1)ccc1c3cc(-c4nc5nc(n4)c4cccc6sc7ccc(cc7c64)c4ccccc54)ccc3ccc21
InChIInChI=1S/C45H25N3S.C39H21N3S.2C39H23N3/c1-2-12-39-35(10-1)42-36(11-5-13-40(42)49-39)45-47-43-33-9-4-8-31(23-33)29-6-3-7-30(22-29)32-20-16-26-14-18-28-19-15-27-17-21-34(44(46-43)48-45)25-38(27)41(28)37(26)24-32;1-2-7-26-22(6-1)14-18-29-28(26)17-15-23-12-13-25(21-32(23)29)37-40-38-30-9-4-3-8-27(30)24-16-19-34-33(20-24)36-31(39(41-37)42-38)10-5-11-35(36)43-34;1-2-6-27(7-3-1)37-40-38-32-11-5-10-30(21-32)28-8-4-9-29(20-28)31-18-14-24-12-16-26-17-13-25-15-19-33(39(41-37)42-38)23-35(25)36(26)34(24)22-31;1-2-9-25(10-3-1)37-40-38-27-12-8-11-26(21-27)29-13-4-5-14-30(29)35-23-36-33(31-15-6-7-16-32(31)35)20-19-24-17-18-28(22-34(24)36)39(41-37)42-38/h1-25H;1-21H;2*1-23H
InChIKeyIZGZMFDIRJZIBQ-UHFFFAOYSA-N
XLogP43.71
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.74
LogP ≤ 543.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene with MolForge

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Related Compounds

2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 155762434
10-[3-(3-phenylphenyl)phenyl]-29-thia-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8,10,12(31),13,15,17(30),18,20,22,24(28),25-pentadecaene
CID 161409669
2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 134199393
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-naphtho[2,1-b][1]benzothiol-1-yl-4,6-diphenyl-1,3,5-triazine;2-naphtho[2,1-b][1]benzothiol-2-yl-4,6-diphenyl-1,3,5-triazine;2-naphtho[2,1-b][1]benzothiol-3-yl-4,6-diphenyl-1,3,5-triazine;2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 162207271
2,4-dinaphthalen-1-yl-6-naphtho[2,1-b][1]benzothiol-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-4-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-3-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,1-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 159219658
2-naphtho[2,1-b][1]benzothiol-3-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 155473967
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 134199250
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993
2-dibenzothiophen-3-yl-4-[2-(8-phenanthren-9-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946192
2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-1,3,5-triazine
CID 166848577

Frequently Asked Questions

What is the IUPAC name of 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene?
The IUPAC name of 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene (CID 158849639) is 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene.
What is the SMILES notation for 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene?
The canonical SMILES for 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene is c1cc2cc(c1)c1ccc3ccc4ccc5ccc(cc5c4c3c1)c1nc(-c3cccc4sc5ccccc5c34)nc(n1)c1cccc2c1.c1ccc(-c2nc3nc(n2)c2ccc4ccc5c(cc(c6ccccc6c6cccc3c6)c3ccccc53)c4c2)cc1.c1ccc(-c2nc3nc(n2)c2ccc4ccc5ccc6ccc(cc6c5c4c2)c2cccc(c2)c2cccc3c2)cc1.c1ccc2c(c1)ccc1c3cc(-c4nc5nc(n4)c4cccc6sc7ccc(cc7c64)c4ccccc54)ccc3ccc21.
What is the InChIKey of 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene?
The InChIKey is IZGZMFDIRJZIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3S.C39H21N3S.2C39H23N3/c1-2-12-39-35(10-1)42-36(11-5-13-40(42)49-39)45-47-43-33-9-4-8-31(23-33)29-6-3-7-30(22-29)32-20-16-26-14-18-28-19-15-27-17-21-34(44(46-43)48-45)25-38(27)41(28)37(26)24-32;1-2-7-26-22(6-1)14-18-29-28(26)17-15-23-12-13-25(21-32(23)29)37-40-38-30-9-4-3-8-27(30)24-16-19-34-33(20-24)36-31(39(41-37)42-38)10-5-11-35(36)43-34;1-2-6-27(7-3-1)37-40-38-32-11-5-10-30(21-32)28-8-4-9-29(20-28)31-18-14-24-12-16-26-17-13-25-15-19-33(39(41-37)42-38)23-35(25)36(26)34(24)22-31;1-2-9-25(10-3-1)37-40-38-27-12-8-11-26(21-27)29-13-4-5-14-30(29)35-23-36-33(31-15-6-7-16-32(31)35)20-19-24-17-18-28(22-34(24)36)39(41-37)42-38/h1-25H;1-21H;2*1-23H.
What are the key properties of 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene?
10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene has a molecular weight of 2270.74 g/mol, XLogP of 43.71, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chrysen-3-yl-24-thia-9,11,25-triazahexacyclo[17.3.1.13,22.18,12.02,7.013,18]pentacosa-1(22),2(7),3,5,8,10,12(25),13,15,17,19(23),20-dodecaene;4-dibenzothiophen-1-yl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[15.11.5.12,6.17,11.112,16.020,32.023,31.026,30]hexatriaconta-1(29),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20(32),21,23(31),24,26(30),27-octadecaene;4-phenyl-3,5,36-triazaoctacyclo[16.12.4.12,6.17,11.012,17.019,24.025,33.028,32]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16,18(34),19,21,23,25(33),26,28(32),29-octadecaene is sourced from PubChem (CID 158849639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).