2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline

C157H120N14O2 — CID 157316993

About 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline

2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline (PubChem CID 157316993) has the molecular formula C157H120N14O2 and a molecular weight of 2234.78 g/mol. Its IUPAC name is 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline.

Molecular Properties

• Compound Name: 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline
• PubChem CID: 157316993
• Molecular Formula: C157H120N14O2
• Molecular Weight: 2234.78 g/mol
• Exact Mass: 2232.97
• IUPAC Name: 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline
• SMILES: CC(C)c1cn2cc(N3c4ccc5c(c4-c4ccncc4-c4ccc6occc6c43)C(C)(C)C=C5)ccc2n1.CC1(C)C=CC2=C1N(c1ccc3ccccc3c1)c1ccc3c(ccn3-c3ccccn3)c1-c1cc3ccn(-c4ccccn4)c3cc12.CC1(C)C=Cc2c1ccc1c2Oc2c(ccc3c2C=CC3(C)C)-c2cc(-c3cccc4cccnc34)ccc2-1.CC1(C)c2ccc3c(ccn3-c3ccccc3-c3ccccn3)c2C=Cc2c1ccc1ccn(-c3ccccc3-c3ccccn3)c21
• InChI: InChI=1S/C43H31N5.C43H32N4.C37H29NO.C34H28N4O/c1-43(2)20-17-32-34-27-38-30(18-23-47(38)40-12-6-8-22-45-40)26-35(34)41-33-19-24-46(39-11-5-7-21-44-39)36(33)15-16-37(41)48(42(32)43)31-14-13-28-9-3-4-10-29(28)25-31;1-43(2)35-21-22-41-31(24-28-46(41)39-15-5-3-11-33(39)37-13-7-9-25-44-37)30(35)18-19-32-36(43)20-17-29-23-27-47(42(29)32)40-16-6-4-12-34(40)38-14-8-10-26-45-38;1-36(2)18-16-28-31(36)14-12-26-25-11-10-23(24-9-5-7-22-8-6-20-38-33(22)24)21-30(25)27-13-15-32-29(17-19-37(32,3)4)35(27)39-34(26)28;1-20(2)27-19-37-18-22(6-10-30(37)36-27)38-28-8-5-21-11-14-34(3,4)32(21)31(28)23-12-15-35-17-26(23)24-7-9-29-25(33(24)38)13-16-39-29/h3-27H,1-2H3;3-28H,1-2H3;5-21H,1-4H3;5-20H,1-4H3
• InChIKey: BDSFLVMAIZFPQK-UHFFFAOYSA-N
• XLogP: 40.12
• TPSA: 143.21 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.78
LogP ≤ 5	40.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline?

The IUPAC name of 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline (CID 157316993) is 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline.

What is the SMILES notation for 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline?

The canonical SMILES for 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline is CC(C)c1cn2cc(N3c4ccc5c(c4-c4ccncc4-c4ccc6occc6c43)C(C)(C)C=C5)ccc2n1.CC1(C)C=CC2=C1N(c1ccc3ccccc3c1)c1ccc3c(ccn3-c3ccccn3)c1-c1cc3ccn(-c4ccccn4)c3cc12.CC1(C)C=Cc2c1ccc1c2Oc2c(ccc3c2C=CC3(C)C)-c2cc(-c3cccc4cccnc34)ccc2-1.CC1(C)c2ccc3c(ccn3-c3ccccc3-c3ccccn3)c2C=Cc2c1ccc1ccn(-c3ccccc3-c3ccccn3)c21.

What is the InChIKey of 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline?

The InChIKey is BDSFLVMAIZFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5.C43H32N4.C37H29NO.C34H28N4O/c1-43(2)20-17-32-34-27-38-30(18-23-47(38)40-12-6-8-22-45-40)26-35(34)41-33-19-24-46(39-11-5-7-21-44-39)36(33)15-16-37(41)48(42(32)43)31-14-13-28-9-3-4-10-29(28)25-31;1-43(2)35-21-22-41-31(24-28-46(41)39-15-5-3-11-33(39)37-13-7-9-25-44-37)30(35)18-19-32-36(43)20-17-29-23-27-47(42(29)32)40-16-6-4-12-34(40)38-14-8-10-26-45-38;1-36(2)18-16-28-31(36)14-12-26-25-11-10-23(24-9-5-7-22-8-6-20-38-33(22)24)21-30(25)27-13-15-32-29(17-19-37(32,3)4)35(27)39-34(26)28;1-20(2)27-19-37-18-22(6-10-30(37)36-27)38-28-8-5-21-11-14-34(3,4)32(21)31(28)23-12-15-35-17-26(23)24-7-9-29-25(33(24)38)13-16-39-29/h3-27H,1-2H3;3-28H,1-2H3;5-21H,1-4H3;5-20H,1-4H3.

What are the key properties of 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline?

2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline has a molecular weight of 2234.78 g/mol, XLogP of 40.12, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-7,16-bis(2-pyridin-2-ylphenyl)-7,16-diazapentacyclo[12.7.0.03,11.06,10.015,19]henicosa-1(14),3(11),4,6(10),8,12,15(19),17,20-nonaene;13,13-dimethyl-11-naphthalen-2-yl-6,20-dipyridin-2-yl-6,11,20-triazahexacyclo[15.7.0.02,10.03,7.012,16.019,23]tetracosa-1(17),2(10),3(7),4,8,12(16),14,18,21,23-decaene;10,10-dimethyl-17-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-22-oxa-4,17-diazahexacyclo[16.7.0.02,7.08,16.09,13.019,23]pentacosa-1(18),2(7),3,5,8(16),9(13),11,14,19(23),20,24-undecaene;8-(12,12,22,22-tetramethyl-17-oxahexacyclo[16.7.0.02,7.08,16.011,15.019,23]pentacosa-1(18),2(7),3,5,8(16),9,11(15),13,19(23),20,24-undecaen-4-yl)quinoline is sourced from PubChem (CID 157316993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).