14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene

C145H92N11OPSSeTe — CID 157287108

About 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene

14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene (PubChem CID 157287108) has the molecular formula C145H92N11OPSSeTe and a molecular weight of 2274.01 g/mol. Its IUPAC name is 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene.

Molecular Properties

• Compound Name: 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene
• PubChem CID: 157287108
• Molecular Formula: C145H92N11OPSSeTe
• Molecular Weight: 2274.01 g/mol
• Exact Mass: 2275.52
• IUPAC Name: 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene
• SMILES: CC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3c4ccc5c(c6ccccc6n5-c5ccc6cnccc6c5)c4[te]c32)cc1.c1ccc(-n2c3ccccc3c3c4ccc5c6ccccc6n(-c6cccc(-c7cccc8ccccc78)n6)c5c4[se]c32)cc1.c1ccc(-p2c3cc4c(cc3c3c5ccccc5sc32)c2ccccc2n4-c2ccc3ncccc3c2)cc1
• InChI: InChI=1S/C41H25N3Se.C35H21N3Te.C35H21N2PS.C34H25N3O/c1-2-14-27(15-3-1)43-36-22-9-7-18-32(36)38-33-25-24-31-30-17-6-8-21-35(30)44(39(31)40(33)45-41(38)43)37-23-11-20-34(42-37)29-19-10-13-26-12-4-5-16-28(26)29;1-2-8-24(9-3-1)38-30-13-7-4-10-26(30)32-28-16-17-31-33(34(28)39-35(32)38)27-11-5-6-12-29(27)37(31)25-15-14-23-21-36-19-18-22(23)20-25;1-2-10-24(11-3-1)38-32-21-31-27(20-28(32)34-26-13-5-7-15-33(26)39-35(34)38)25-12-4-6-14-30(25)37(31)23-16-17-29-22(19-23)9-8-18-36-29;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)31(24)32(26)38-33-30(34)25-15-7-9-17-28(25)36(33)22-12-4-3-5-13-22/h1-25H;2*1-21H;3-21H,1-2H3
• InChIKey: BAJBTHJXQZJFOC-UHFFFAOYSA-N
• XLogP: 38.33
• TPSA: 95.30 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2274.01
LogP ≤ 5	38.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene?

The IUPAC name of 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene (CID 157287108) is 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene.

What is the SMILES notation for 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene?

The canonical SMILES for 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene is CC1(C)c2ccc3c4ccccc4n(-c4ccccn4)c3c2Oc2c1c1ccccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3c4ccc5c(c6ccccc6n5-c5ccc6cnccc6c5)c4[te]c32)cc1.c1ccc(-n2c3ccccc3c3c4ccc5c6ccccc6n(-c6cccc(-c7cccc8ccccc78)n6)c5c4[se]c32)cc1.c1ccc(-p2c3cc4c(cc3c3c5ccccc5sc32)c2ccccc2n4-c2ccc3ncccc3c2)cc1.

What is the InChIKey of 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene?

The InChIKey is BAJBTHJXQZJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3Se.C35H21N3Te.C35H21N2PS.C34H25N3O/c1-2-14-27(15-3-1)43-36-22-9-7-18-32(36)38-33-25-24-31-30-17-6-8-21-35(30)44(39(31)40(33)45-41(38)43)37-23-11-20-34(42-37)29-19-10-13-26-12-4-5-16-28(26)29;1-2-8-24(9-3-1)38-30-13-7-4-10-26(30)32-28-16-17-31-33(34(28)39-35(32)38)27-11-5-6-12-29(27)37(31)25-15-14-23-21-36-19-18-22(23)20-25;1-2-10-24(11-3-1)38-32-21-31-27(20-28(32)34-26-13-5-7-15-33(26)39-35(34)38)25-12-4-6-14-30(25)37(31)23-16-17-29-22(19-23)9-8-18-36-29;1-34(2)26-20-19-24-23-14-6-8-16-27(23)37(29-18-10-11-21-35-29)31(24)32(26)38-33-30(34)25-15-7-9-17-28(25)36(33)22-12-4-3-5-13-22/h1-25H;2*1-21H;3-21H,1-2H3.

What are the key properties of 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene?

14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene has a molecular weight of 2274.01 g/mol, XLogP of 38.33, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-22-phenyl-3-pyridin-2-yl-24-oxa-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;9-isoquinolin-6-yl-21-phenyl-23-tellura-9,21-diazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,19-decaene;3-(6-naphthalen-1-yl-2-pyridinyl)-21-phenyl-23-selena-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene;14-phenyl-10-quinolin-6-yl-16-thia-10-aza-14-phosphahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15(23),17,19,21-decaene is sourced from PubChem (CID 157287108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).