23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene

C41H25N5S — CID 90267188

IUPAC23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4ccc5c6ccccc6sc5c43)n2)cc1
InChIInChI=1S/C41H25N5S/c1-4-12-26(13-5-1)39-42-40(27-14-6-2-7-15-27)44-41(43-39)46-35-24-28-22-23-45(29-16-8-3-9-17-29)34(28)25-33(35)31-20-21-32-30-18-10-11-19-36(30)47-38(32)37(31)46/h1-25H
InChIKeyZXGCAMJEFSIMMP-UHFFFAOYSA-N
MW619.75 g/mol
LogP10.61
Rot. Bonds4

About 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene

23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene (PubChem CID 90267188) has the molecular formula C41H25N5S and a molecular weight of 619.75 g/mol. Its IUPAC name is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene.

Molecular Properties

Compound Name23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene
PubChem CID90267188
Molecular FormulaC41H25N5S
Molecular Weight619.75 g/mol
Exact Mass619.18
IUPAC Name23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4ccc5c6ccccc6sc5c43)n2)cc1
InChIInChI=1S/C41H25N5S/c1-4-12-26(13-5-1)39-42-40(27-14-6-2-7-15-27)44-41(43-39)46-35-24-28-22-23-45(29-16-8-3-9-17-29)34(28)25-33(35)31-20-21-32-30-18-10-11-19-36(30)47-38(32)37(31)46/h1-25H
InChIKeyZXGCAMJEFSIMMP-UHFFFAOYSA-N
XLogP10.61
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.75
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
The IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene (CID 90267188) is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene.
What is the SMILES notation for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
The canonical SMILES for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4ccc5c6ccccc6sc5c43)n2)cc1.
What is the InChIKey of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
The InChIKey is ZXGCAMJEFSIMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5S/c1-4-12-26(13-5-1)39-42-40(27-14-6-2-7-15-27)44-41(43-39)46-35-24-28-22-23-45(29-16-8-3-9-17-29)34(28)25-33(35)31-20-21-32-30-18-10-11-19-36(30)47-38(32)37(31)46/h1-25H.
What are the key properties of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene has a molecular weight of 619.75 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene is sourced from PubChem (CID 90267188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).