11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene

C43H22N4S — CID 154692717

IUPAC11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c6cccc7c6c6c8c-7cccc8cc7sc8ccc3c(c8c76)c54)n2)cc1
InChIInChI=1S/C43H22N4S/c1-3-10-23(11-4-1)41-44-42(24-12-5-2-6-13-24)46-43(45-41)47-30-19-9-18-29-28-17-8-16-27-26-15-7-14-25-22-33-39(40(34(25)26)35(27)28)38-32(48-33)21-20-31(47)37(38)36(29)30/h1-22H/b29-28-
InChIKeySRUUGXDFXOXHOP-ZIADKAODSA-N
MW626.74 g/mol
LogP11.55
Rot. Bonds3

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene (PubChem CID 154692717) has the molecular formula C43H22N4S and a molecular weight of 626.74 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene
PubChem CID154692717
Molecular FormulaC43H22N4S
Molecular Weight626.74 g/mol
Exact Mass626.16
IUPAC Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c6cccc7c6c6c8c-7cccc8cc7sc8ccc3c(c8c76)c54)n2)cc1
InChIInChI=1S/C43H22N4S/c1-3-10-23(11-4-1)41-44-42(24-12-5-2-6-13-24)46-43(45-41)47-30-19-9-18-29-28-17-8-16-27-26-15-7-14-25-22-33-39(40(34(25)26)35(27)28)38-32(48-33)21-20-31(47)37(38)36(29)30/h1-22H/b29-28-
InChIKeySRUUGXDFXOXHOP-ZIADKAODSA-N
XLogP11.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.74
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

29-(4,6-diphenyl-1,3,5-triazin-2-yl)-30-thia-29-azaoctacyclo[24.2.1.120,23.02,7.09,28.010,15.016,21.022,27]triaconta-1(28),2,4,6,8,10,12,14,16(21),17,19,22,24,26-tetradecaene
CID 163454761
15-(3-dibenzofuran-1-ylphenyl)-20-phenyl-10-thia-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenyl-10-thia-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20-phenyl-15-[3-(3-phenylphenyl)phenyl]-10-thia-15,20-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 163504186
9-(4-naphtho[2,1-b][1]benzothiol-5-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155485246
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[3-(9-dibenzothiophen-1-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358003
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
25-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163519018
15-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-15,26-diazanonacyclo[14.11.0.02,14.03,11.04,9.05,26.06,24.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20(25),21,23-dodecaene
CID 163855456
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 171591597
30-[3-(3,5-diphenyl-1,3,5-triazine-1,3,5-triium-1-yl)phenyl]-11-thia-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-thia-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-thia-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
CID 161030453

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene (CID 154692717) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c6cccc7c6c6c8c-7cccc8cc7sc8ccc3c(c8c76)c54)n2)cc1.
What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
The InChIKey is SRUUGXDFXOXHOP-ZIADKAODSA-N. The full InChI is InChI=1S/C43H22N4S/c1-3-10-23(11-4-1)41-44-42(24-12-5-2-6-13-24)46-43(45-41)47-30-19-9-18-29-28-17-8-16-27-26-15-7-14-25-22-33-39(40(34(25)26)35(27)28)38-32(48-33)21-20-31(47)37(38)36(29)30/h1-22H/b29-28-.
What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene?
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene has a molecular weight of 626.74 g/mol, XLogP of 11.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-thia-11-azanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 154692717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).