22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

C160H103N15S3 — CID 162227279

About 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (PubChem CID 162227279) has the molecular formula C160H103N15S3 and a molecular weight of 2331.89 g/mol. Its IUPAC name is 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.

Molecular Properties

• Compound Name: 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
• PubChem CID: 162227279
• Molecular Formula: C160H103N15S3
• Molecular Weight: 2331.89 g/mol
• Exact Mass: 2329.77
• IUPAC Name: 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
• SMILES: CC1(C)C2=C(c3ccccc31)C(C)(C)c1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c12.c1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)sc3c4ccccc4n(-c4ccccc4)c35)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6sc7ccccc7c6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6c7ccccc7n(-c7ccccc7)c6c5c43)nc3ccccc23)cc1
• InChI: InChI=1S/3C40H24N4S.C40H31N3/c1-3-13-25(14-4-1)35-29-18-7-10-20-32(29)41-40(42-35)44-33-21-11-8-17-27(33)28-23-24-31-37(36(28)44)43(26-15-5-2-6-16-26)38-30-19-9-12-22-34(30)45-39(31)38;1-3-13-25(14-4-1)36-29-18-7-10-20-31(29)41-40(42-36)44-32-21-11-8-17-27(32)28-23-24-34-35(37(28)44)38-39(45-34)30-19-9-12-22-33(30)43(38)26-15-5-2-6-16-26;1-3-13-25(14-4-1)37-27-17-7-10-20-30(27)41-40(42-37)44-31-21-11-8-18-28(31)35-33(44)23-24-34-36(35)38-39(45-34)29-19-9-12-22-32(29)43(38)26-15-5-2-6-16-26;1-39(2)30-19-11-8-17-27(30)33-34(39)29-23-22-26-25-16-10-13-21-32(25)43(37(26)35(29)40(33,3)4)38-41-31-20-12-9-18-28(31)36(42-38)24-14-6-5-7-15-24/h3*1-24H;5-23H,1-4H3
• InChIKey: ZUXSFPNVRGWTOT-UHFFFAOYSA-N
• XLogP: 42.00
• TPSA: 137.63 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2331.89
LogP ≤ 5	42.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The IUPAC name of 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (CID 162227279) is 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.

What is the SMILES notation for 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The canonical SMILES for 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is CC1(C)C2=C(c3ccccc31)C(C)(C)c1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c12.c1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)sc3c4ccccc4n(-c4ccccc4)c35)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6sc7ccccc7c6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6c7ccccc7n(-c7ccccc7)c6c5c43)nc3ccccc23)cc1.

What is the InChIKey of 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The InChIKey is ZUXSFPNVRGWTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H24N4S.C40H31N3/c1-3-13-25(14-4-1)35-29-18-7-10-20-32(29)41-40(42-35)44-33-21-11-8-17-27(33)28-23-24-31-37(36(28)44)43(26-15-5-2-6-16-26)38-30-19-9-12-22-34(30)45-39(31)38;1-3-13-25(14-4-1)36-29-18-7-10-20-31(29)41-40(42-36)44-32-21-11-8-17-27(32)28-23-24-34-35(37(28)44)38-39(45-34)30-19-9-12-22-33(30)43(38)26-15-5-2-6-16-26;1-3-13-25(14-4-1)37-27-17-7-10-20-30(27)41-40(42-37)44-31-21-11-8-18-28(31)35-33(44)23-24-34-36(35)38-39(45-34)29-19-9-12-22-32(29)43(38)26-15-5-2-6-16-26;1-39(2)30-19-11-8-17-27(30)33-34(39)29-23-22-26-25-16-10-13-21-32(25)43(37(26)35(29)40(33,3)4)38-41-31-20-12-9-18-28(31)36(42-38)24-14-6-5-7-15-24/h3*1-24H;5-23H,1-4H3.

What are the key properties of 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene has a molecular weight of 2331.89 g/mol, XLogP of 42.00, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is sourced from PubChem (CID 162227279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).