14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

C140H82N22S4 — CID 157493025

IUPAC14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ncncc35)nc3ccccc23)cc1
InChIInChI=1S/2C37H22N6S.C36H21N5S.C30H17N5S/c1-3-10-23(11-4-1)34-40-35(24-12-5-2-6-13-24)42-36(41-34)25-14-9-15-26(18-25)43-31-17-8-7-16-27(31)28-19-29-30-21-38-22-39-37(30)44-33(29)20-32(28)43;1-3-9-23(10-4-1)24-15-17-26(18-16-24)35-40-34(25-11-5-2-6-12-25)41-37(42-35)43-31-14-8-7-13-27(31)28-19-29-30-21-38-22-39-36(30)44-33(29)20-32(28)43;1-2-8-22(9-3-1)23-14-16-24(17-15-23)34-26-11-4-6-12-30(26)39-36(40-34)41-31-13-7-5-10-25(31)27-18-28-29-20-37-21-38-35(29)42-33(28)19-32(27)41;1-2-8-18(9-3-1)28-20-11-4-6-12-24(20)33-30(34-28)35-25-13-7-5-10-19(25)21-14-22-23-16-31-17-32-29(23)36-27(22)15-26(21)35/h2*1-22H;1-21H;1-17H
InChIKeyBXMSHUQJSOLNBL-UHFFFAOYSA-N
MW2200.62 g/mol
LogP35.03
Rot. Bonds13

About 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (PubChem CID 157493025) has the molecular formula C140H82N22S4 and a molecular weight of 2200.62 g/mol. Its IUPAC name is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.

Molecular Properties

Compound Name14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
PubChem CID157493025
Molecular FormulaC140H82N22S4
Molecular Weight2200.62 g/mol
Exact Mass2198.60
IUPAC Name14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ncncc35)nc3ccccc23)cc1
InChIInChI=1S/2C37H22N6S.C36H21N5S.C30H17N5S/c1-3-10-23(11-4-1)34-40-35(24-12-5-2-6-13-24)42-36(41-34)25-14-9-15-26(18-25)43-31-17-8-7-16-27(31)28-19-29-30-21-38-22-39-37(30)44-33(29)20-32(28)43;1-3-9-23(10-4-1)24-15-17-26(18-16-24)35-40-34(25-11-5-2-6-12-25)41-37(42-35)43-31-14-8-7-13-27(31)28-19-29-30-21-38-22-39-36(30)44-33(29)20-32(28)43;1-2-8-22(9-3-1)23-14-16-24(17-15-23)34-26-11-4-6-12-30(26)39-36(40-34)41-31-13-7-5-10-25(31)27-18-28-29-20-37-21-38-35(29)42-33(28)19-32(27)41;1-2-8-18(9-3-1)28-20-11-4-6-12-24(20)33-30(34-28)35-25-13-7-5-10-19(25)21-14-22-23-16-31-17-32-29(23)36-27(22)15-26(21)35/h2*1-22H;1-21H;1-17H
InChIKeyBXMSHUQJSOLNBL-UHFFFAOYSA-N
XLogP35.03
TPSA251.74 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.62
LogP ≤ 535.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (CID 157493025) is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.
What is the SMILES notation for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The canonical SMILES for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)sc4ncncc46)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ncncc35)nc3ccccc23)cc1.
What is the InChIKey of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The InChIKey is BXMSHUQJSOLNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H22N6S.C36H21N5S.C30H17N5S/c1-3-10-23(11-4-1)34-40-35(24-12-5-2-6-13-24)42-36(41-34)25-14-9-15-26(18-25)43-31-17-8-7-16-27(31)28-19-29-30-21-38-22-39-37(30)44-33(29)20-32(28)43;1-3-9-23(10-4-1)24-15-17-26(18-16-24)35-40-34(25-11-5-2-6-12-25)41-37(42-35)43-31-14-8-7-13-27(31)28-19-29-30-21-38-22-39-36(30)44-33(29)20-32(28)43;1-2-8-22(9-3-1)23-14-16-24(17-15-23)34-26-11-4-6-12-30(26)39-36(40-34)41-31-13-7-5-10-25(31)27-18-28-29-20-37-21-38-35(29)42-33(28)19-32(27)41;1-2-8-18(9-3-1)28-20-11-4-6-12-24(20)33-30(34-28)35-25-13-7-5-10-19(25)21-14-22-23-16-31-17-32-29(23)36-27(22)15-26(21)35/h2*1-22H;1-21H;1-17H.
What are the key properties of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene has a molecular weight of 2200.62 g/mol, XLogP of 35.03, 13 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;14-(4-phenylquinazolin-2-yl)-10-thia-6,8,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is sourced from PubChem (CID 157493025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).