23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene

C43H27N3S — CID 90267444

IUPAC23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)c2)cc1
InChIInChI=1S/C43H27N3S/c1-4-12-28(13-5-1)31-22-37(29-14-6-2-7-15-29)44-43(24-31)46-39-23-30-20-21-45(32-16-8-3-9-17-32)38(30)25-34(39)35-27-42-36(26-40(35)46)33-18-10-11-19-41(33)47-42/h1-27H
InChIKeyFYRFZNYFGIYKKR-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.82
Rot. Bonds4

About 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene

23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene (PubChem CID 90267444) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene.

Molecular Properties

Compound Name23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene
PubChem CID90267444
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)c2)cc1
InChIInChI=1S/C43H27N3S/c1-4-12-28(13-5-1)31-22-37(29-14-6-2-7-15-29)44-43(24-31)46-39-23-30-20-21-45(32-16-8-3-9-17-32)38(30)25-34(39)35-27-42-36(26-40(35)46)33-18-10-11-19-41(33)47-42/h1-27H
InChIKeyFYRFZNYFGIYKKR-UHFFFAOYSA-N
XLogP11.82
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene?
The IUPAC name of 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene (CID 90267444) is 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene.
What is the SMILES notation for 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene?
The canonical SMILES for 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)c2)cc1.
What is the InChIKey of 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene?
The InChIKey is FYRFZNYFGIYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-4-12-28(13-5-1)31-22-37(29-14-6-2-7-15-29)44-43(24-31)46-39-23-30-20-21-45(32-16-8-3-9-17-32)38(30)25-34(39)35-27-42-36(26-40(35)46)33-18-10-11-19-41(33)47-42/h1-27H.
What are the key properties of 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene?
23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene has a molecular weight of 617.78 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,6-diphenyl-2-pyridinyl)-17-phenyl-10-thia-17,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaene is sourced from PubChem (CID 90267444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).