17-phenyl-23-(4-phenylquinazolin-2-yl)-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

C40H24N4S — CID 90267323

IUPAC17-phenyl-23-(4-phenylquinazolin-2-yl)-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(-c2nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1
InChIInChI=1S/C40H24N4S/c1-3-11-25(12-4-1)39-29-16-7-9-17-33(29)41-40(42-39)44-35-21-26-19-20-43(27-13-5-2-6-14-27)34(26)22-30(35)31-24-38-32(23-36(31)44)28-15-8-10-18-37(28)45-38/h1-24H
InChIKeyMIARPFUQKFRPTF-UHFFFAOYSA-N
MW592.73 g/mol
LogP10.71
Rot. Bonds3

About 17-phenyl-23-(4-phenylquinazolin-2-yl)-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-(4-phenylquinazolin-2-yl)-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 90267323) has the molecular formula C40H24N4S and a molecular weight of 592.73 g/mol. Its IUPAC name is 17-phenyl-23-(4-phenylquinazolin-2-yl)-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-(4-phenylquinazolin-2-yl)-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 CID90267323
Molecular FormulaC40H24N4S
Molecular Weight592.73 g/mol
Exact Mass592.17
IUPAC Name17-phenyl-23-(4-phenylquinazolin-2-yl)-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(-c2nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1
InChIInChI=1S/C40H24N4S/c1-3-11-25(12-4-1)39-29-16-7-9-17-33(29)41-40(42-39)44-35-21-26-19-20-43(27-13-5-2-6-14-27)34(26)22-30(35)31-24-38-32(23-36(31)44)28-15-8-10-18-37(28)45-38/h1-24H
InChIKeyMIARPFUQKFRPTF-UHFFFAOYSA-N
XLogP10.71
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.73
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-phenyl-23-(4-phenylquinazolin-2-yl)-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-(4-phenylquinazolin-2-yl)-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-(4-phenylquinazolin-2-yl)-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 90267323) is 17-phenyl-23-(4-phenylquinazolin-2-yl)-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-(4-phenylquinazolin-2-yl)-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-(4-phenylquinazolin-2-yl)-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(-c2nc(-n3c4cc5ccn(-c6ccccc6)c5cc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1.
What is the InChIKey of 17-phenyl-23-(4-phenylquinazolin-2-yl)-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 MIARPFUQKFRPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4S/c1-3-11-25(12-4-1)39-29-16-7-9-17-33(29)41-40(42-39)44-35-21-26-19-20-43(27-13-5-2-6-14-27)34(26)22-30(35)31-24-38-32(23-36(31)44)28-15-8-10-18-37(28)45-38/h1-24H.
What are the key properties of 17-phenyl-23-(4-phenylquinazolin-2-yl)-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-(4-phenylquinazolin-2-yl)-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 592.73 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-23-(4-phenylquinazolin-2-yl)-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 90267323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).