17-phenyl-23-(5-phenyl-2-pyridinyl)-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

C37H23N3S — CID 90267442

IUPAC17-phenyl-23-(5-phenyl-2-pyridinyl)-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(-c2ccc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)nc2)cc1
InChIInChI=1S/C37H23N3S/c1-3-9-24(10-4-1)26-15-16-37(38-23-26)40-33-19-25-17-18-39(27-11-5-2-6-12-27)32(25)20-29(33)30-22-36-31(21-34(30)40)28-13-7-8-14-35(28)41-36/h1-23H
InChIKeyQYNSCUWPPCUXPL-UHFFFAOYSA-N
MW541.68 g/mol
LogP10.16
Rot. Bonds3

About 17-phenyl-23-(5-phenyl-2-pyridinyl)-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

17-phenyl-23-(5-phenyl-2-pyridinyl)-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 90267442) has the molecular formula C37H23N3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 Name17-phenyl-23-(5-phenyl-2-pyridinyl)-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 CID90267442
Molecular FormulaC37H23N3S
Molecular Weight541.68 g/mol
Exact Mass541.16
IUPAC Name17-phenyl-23-(5-phenyl-2-pyridinyl)-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(-c2ccc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)nc2)cc1
InChIInChI=1S/C37H23N3S/c1-3-9-24(10-4-1)26-15-16-37(38-23-26)40-33-19-25-17-18-39(27-11-5-2-6-12-27)32(25)20-29(33)30-22-36-31(21-34(30)40)28-13-7-8-14-35(28)41-36/h1-23H
InChIKeyQYNSCUWPPCUXPL-UHFFFAOYSA-N
XLogP10.16
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 90267442) is 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 17-phenyl-23-(5-phenyl-2-pyridinyl)-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(-c2ccc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)nc2)cc1.
What is the InChIKey of 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 QYNSCUWPPCUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3S/c1-3-9-24(10-4-1)26-15-16-37(38-23-26)40-33-19-25-17-18-39(27-11-5-2-6-12-27)32(25)20-29(33)30-22-36-31(21-34(30)40)28-13-7-8-14-35(28)41-36/h1-23H.
What are the key properties of 17-phenyl-23-(5-phenyl-2-pyridinyl)-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?
17-phenyl-23-(5-phenyl-2-pyridinyl)-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 541.68 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-23-(5-phenyl-2-pyridinyl)-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 90267442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).