5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C188H193Br2ClN12O16 — CID 159613623

About 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 159613623) has the molecular formula C188H193Br2ClN12O16 and a molecular weight of 3071.94 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 159613623
• Molecular Formula: C188H193Br2ClN12O16
• Molecular Weight: 3071.94 g/mol
• Exact Mass: 3067.27
• IUPAC Name: 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: Brc1ccc(OC2C=CC([C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccccc3)=CC2)nc1.CC(C)(C)OC(=O)N1CCCCC1.CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3ccc([C@@H]4c5ccc(O)cc5CC[C@@H]4c4ccccc4)cc3)nc2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3ccc([C@@H]4c5ccc(OCc6ccccc6)cc5CC[C@@H]4c4ccccc4)cc3)nc2)CC1.Clc1ccc(Br)cn1.Oc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1.Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(Oc2ccc(N3CCNCC3)cn2)cc1
• InChI: InChI=1S/C43H45N3O4.C36H39N3O4.C34H30BrNO2.C31H31N3O2.C29H26O2.C10H19NO2.C5H3BrClN/c1-43(2,3)50-42(47)46-26-24-45(25-27-46)35-17-23-40(44-29-35)49-36-18-14-33(15-19-36)41-38(32-12-8-5-9-13-32)21-16-34-28-37(20-22-39(34)41)48-30-31-10-6-4-7-11-31;1-36(2,3)43-35(41)39-21-19-38(20-22-39)28-12-18-33(37-24-28)42-30-14-9-26(10-15-30)34-31(25-7-5-4-6-8-25)16-11-27-23-29(40)13-17-32(27)34;35-28-14-20-33(36-22-28)38-29-15-11-26(12-16-29)34-31(25-9-5-2-6-10-25)18-13-27-21-30(17-19-32(27)34)37-23-24-7-3-1-4-8-24;35-26-10-14-29-24(20-26)8-13-28(22-4-2-1-3-5-22)31(29)23-6-11-27(12-7-23)36-30-15-9-25(21-33-30)34-18-16-32-17-19-34;30-25-14-11-23(12-15-25)29-27(22-9-5-2-6-10-22)17-13-24-19-26(16-18-28(24)29)31-20-21-7-3-1-4-8-21;1-10(2,3)13-9(12)11-7-5-4-6-8-11;6-4-1-2-5(7)8-3-4/h4-15,17-20,22-23,28-29,38,41H,16,21,24-27,30H2,1-3H3;4-10,12-15,17-18,23-24,31,34,40H,11,16,19-22H2,1-3H3;1-12,14-15,17,19-22,29,31,34H,13,16,18,23H2;1-7,9-12,14-15,20-21,28,31-32,35H,8,13,16-19H2;1-12,14-16,18-19,27,29-30H,13,17,20H2;4-8H2,1-3H3;1-3H/t38-,41+;31-,34+;29?,31-,34+;28-,31+;27-,29+;;/m11111../s1
• InChIKey: MMZZSKXNLBGKGF-WNDFNLLGSA-N
• XLogP: 43.03
• TPSA: 300.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3071.94
LogP ≤ 5	43.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 159613623) is 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is Brc1ccc(OC2C=CC([C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccccc3)=CC2)nc1.CC(C)(C)OC(=O)N1CCCCC1.CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3ccc([C@@H]4c5ccc(O)cc5CC[C@@H]4c4ccccc4)cc3)nc2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3ccc([C@@H]4c5ccc(OCc6ccccc6)cc5CC[C@@H]4c4ccccc4)cc3)nc2)CC1.Clc1ccc(Br)cn1.Oc1ccc([C@@H]2c3ccc(OCc4ccccc4)cc3CC[C@@H]2c2ccccc2)cc1.Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(Oc2ccc(N3CCNCC3)cn2)cc1.

What is the InChIKey of 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is MMZZSKXNLBGKGF-WNDFNLLGSA-N. The full InChI is InChI=1S/C43H45N3O4.C36H39N3O4.C34H30BrNO2.C31H31N3O2.C29H26O2.C10H19NO2.C5H3BrClN/c1-43(2,3)50-42(47)46-26-24-45(25-27-46)35-17-23-40(44-29-35)49-36-18-14-33(15-19-36)41-38(32-12-8-5-9-13-32)21-16-34-28-37(20-22-39(34)41)48-30-31-10-6-4-7-11-31;1-36(2,3)43-35(41)39-21-19-38(20-22-39)28-12-18-33(37-24-28)42-30-14-9-26(10-15-30)34-31(25-7-5-4-6-8-25)16-11-27-23-29(40)13-17-32(27)34;35-28-14-20-33(36-22-28)38-29-15-11-26(12-16-29)34-31(25-9-5-2-6-10-25)18-13-27-21-30(17-19-32(27)34)37-23-24-7-3-1-4-8-24;35-26-10-14-29-24(20-26)8-13-28(22-4-2-1-3-5-22)31(29)23-6-11-27(12-7-23)36-30-15-9-25(21-33-30)34-18-16-32-17-19-34;30-25-14-11-23(12-15-25)29-27(22-9-5-2-6-10-22)17-13-24-19-26(16-18-28(24)29)31-20-21-7-3-1-4-8-21;1-10(2,3)13-9(12)11-7-5-4-6-8-11;6-4-1-2-5(7)8-3-4/h4-15,17-20,22-23,28-29,38,41H,16,21,24-27,30H2,1-3H3;4-10,12-15,17-18,23-24,31,34,40H,11,16,19-22H2,1-3H3;1-12,14-15,17,19-22,29,31,34H,13,16,18,23H2;1-7,9-12,14-15,20-21,28,31-32,35H,8,13,16-19H2;1-12,14-16,18-19,27,29-30H,13,17,20H2;4-8H2,1-3H3;1-3H/t38-,41+;31-,34+;29?,31-,34+;28-,31+;27-,29+;;/m11111../s1.

What are the key properties of 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 3071.94 g/mol, XLogP of 43.03, 30 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloropyridine;5-bromo-2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]oxypyridine;tert-butyl 4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenol;(5R,6S)-6-phenyl-5-[4-[(5-piperazin-1-yl-2-pyridinyl)oxy]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 159613623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).