tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C288H312BClF3N11O29S — CID 159813751

IUPACtert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(C3=C(c4ccccc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@H]3c4ccc(O)cc4CC[C@H]3c3ccccc3)cc2)CC1.O=C1CCC(N2Cc3cc(N4CCN(CCCl)CC4)ccc3C2=O)C(=O)N1.O=S(=O)(Oc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)ccc32)cc1)C(F)(F)F.Oc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)ccc32)cc1.Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C39H39NO3.3C32H37NO3.C32H35NO3.C30H23F3O4S.C29H24O2.C27H29NO.C19H23ClN4O3.C16H28BNO4/c1-39(2,3)43-38(41)40-24-22-30(23-25-40)29-14-16-32(17-15-29)37-35(31-12-8-5-9-13-31)20-18-33-26-34(19-21-36(33)37)42-27-28-10-6-4-7-11-28;4*1-32(2,3)36-31(35)33-19-17-23(18-20-33)22-9-11-25(12-10-22)30-28(24-7-5-4-6-8-24)15-13-26-21-27(34)14-16-29(26)30;31-30(32,33)38(34,35)37-25-14-11-23(12-15-25)29-27(22-9-5-2-6-10-22)17-13-24-19-26(16-18-28(24)29)36-20-21-7-3-1-4-8-21;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;29-24-11-13-26-23(18-24)10-12-25(21-4-2-1-3-5-21)27(26)22-8-6-19(7-9-22)20-14-16-28-17-15-20;20-5-6-22-7-9-23(10-8-22)14-1-2-15-13(11-14)12-24(19(15)27)16-3-4-17(25)21-18(16)26;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h4-17,19,21-22,26H,18,20,23-25,27H2,1-3H3;3*4-12,14,16,21,23,28,30,34H,13,15,17-20H2,1-3H3;4-12,14,16-17,21,28,30,34H,13,15,18-20H2,1-3H3;1-12,14-16,18-19H,13,17,20H2;1-12,14-16,18-19,30H,13,17,20H2;1-9,11,13,18,20,25,27-29H,10,12,14-17H2;1-2,11,16H,3-10,12H2,(H,21,25,26);8H,9-11H2,1-7H3/t;4*28-,30+;;;25-,27+;;/m.1101..1../s1
InChIKeyNLIXNHHBJIUILI-GWKLKMIOSA-N
MW4527.04 g/mol
LogP62.57
Rot. Bonds38

About tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 159813751) has the molecular formula C288H312BClF3N11O29S and a molecular weight of 4527.04 g/mol. Its IUPAC name is tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Nametert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID159813751
Molecular FormulaC288H312BClF3N11O29S
Molecular Weight4527.04 g/mol
Exact Mass4523.27
IUPAC Nametert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(C3=C(c4ccccc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@H]3c4ccc(O)cc4CC[C@H]3c3ccccc3)cc2)CC1.O=C1CCC(N2Cc3cc(N4CCN(CCCl)CC4)ccc3C2=O)C(=O)N1.O=S(=O)(Oc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)ccc32)cc1)C(F)(F)F.Oc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)ccc32)cc1.Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C39H39NO3.3C32H37NO3.C32H35NO3.C30H23F3O4S.C29H24O2.C27H29NO.C19H23ClN4O3.C16H28BNO4/c1-39(2,3)43-38(41)40-24-22-30(23-25-40)29-14-16-32(17-15-29)37-35(31-12-8-5-9-13-31)20-18-33-26-34(19-21-36(33)37)42-27-28-10-6-4-7-11-28;4*1-32(2,3)36-31(35)33-19-17-23(18-20-33)22-9-11-25(12-10-22)30-28(24-7-5-4-6-8-24)15-13-26-21-27(34)14-16-29(26)30;31-30(32,33)38(34,35)37-25-14-11-23(12-15-25)29-27(22-9-5-2-6-10-22)17-13-24-19-26(16-18-28(24)29)36-20-21-7-3-1-4-8-21;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;29-24-11-13-26-23(18-24)10-12-25(21-4-2-1-3-5-21)27(26)22-8-6-19(7-9-22)20-14-16-28-17-15-20;20-5-6-22-7-9-23(10-8-22)14-1-2-15-13(11-14)12-24(19(15)27)16-3-4-17(25)21-18(16)26;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h4-17,19,21-22,26H,18,20,23-25,27H2,1-3H3;3*4-12,14,16,21,23,28,30,34H,13,15,17-20H2,1-3H3;4-12,14,16-17,21,28,30,34H,13,15,18-20H2,1-3H3;1-12,14-16,18-19H,13,17,20H2;1-12,14-16,18-19,30H,13,17,20H2;1-9,11,13,18,20,25,27-29H,10,12,14-17H2;1-2,11,16H,3-10,12H2,(H,21,25,26);8H,9-11H2,1-7H3/t;4*28-,30+;;;25-,27+;;/m.1101..1../s1
InChIKeyNLIXNHHBJIUILI-GWKLKMIOSA-N
XLogP62.57
TPSA473.13 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms334
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004527.04
LogP ≤ 562.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 159813751) is tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(C3=C(c4ccccc4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc([C@H]3c4ccc(O)cc4CC[C@H]3c3ccccc3)cc2)CC1.O=C1CCC(N2Cc3cc(N4CCN(CCCl)CC4)ccc3C2=O)C(=O)N1.O=S(=O)(Oc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)ccc32)cc1)C(F)(F)F.Oc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)ccc32)cc1.Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(C2CCNCC2)cc1.
What is the InChIKey of tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is NLIXNHHBJIUILI-GWKLKMIOSA-N. The full InChI is InChI=1S/C39H39NO3.3C32H37NO3.C32H35NO3.C30H23F3O4S.C29H24O2.C27H29NO.C19H23ClN4O3.C16H28BNO4/c1-39(2,3)43-38(41)40-24-22-30(23-25-40)29-14-16-32(17-15-29)37-35(31-12-8-5-9-13-31)20-18-33-26-34(19-21-36(33)37)42-27-28-10-6-4-7-11-28;4*1-32(2,3)36-31(35)33-19-17-23(18-20-33)22-9-11-25(12-10-22)30-28(24-7-5-4-6-8-24)15-13-26-21-27(34)14-16-29(26)30;31-30(32,33)38(34,35)37-25-14-11-23(12-15-25)29-27(22-9-5-2-6-10-22)17-13-24-19-26(16-18-28(24)29)36-20-21-7-3-1-4-8-21;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;29-24-11-13-26-23(18-24)10-12-25(21-4-2-1-3-5-21)27(26)22-8-6-19(7-9-22)20-14-16-28-17-15-20;20-5-6-22-7-9-23(10-8-22)14-1-2-15-13(11-14)12-24(19(15)27)16-3-4-17(25)21-18(16)26;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h4-17,19,21-22,26H,18,20,23-25,27H2,1-3H3;3*4-12,14,16,21,23,28,30,34H,13,15,17-20H2,1-3H3;4-12,14,16-17,21,28,30,34H,13,15,18-20H2,1-3H3;1-12,14-16,18-19H,13,17,20H2;1-12,14-16,18-19,30H,13,17,20H2;1-9,11,13,18,20,25,27-29H,10,12,14-17H2;1-2,11,16H,3-10,12H2,(H,21,25,26);8H,9-11H2,1-7H3/t;4*28-,30+;;;25-,27+;;/m.1101..1../s1.
What are the key properties of tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 4527.04 g/mol, XLogP of 62.57, 38 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(tert-butyl 4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate);tert-butyl 4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-[6-[4-(2-chloroethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol;[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate;(5R,6S)-6-phenyl-5-(4-piperidin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 159813751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).