15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene

C146H98B4N10O2S2 — CID 165006220

IUPAC15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene
SMILESCc1c2ccccc2cc2c3c(sc12)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N3c1ccccc1.Cc1cc2ccccc2c2c3c(sc12)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N3c1ccccc1.Cc1ccc2c(n1)oc1c3c(ccc12)N(c1ccccc1)c1cccc2c1B3c1ccccc1N2c1ccccc1.[2H]C([2H])([2H])c1cnc2oc3c4c(ccc3c2c1)N(c1ccccc1)c1cccc2c1B4c1ccccc1N2c1ccccc1
InChIInChI=1S/2C37H25BN2S.2C36H24BN3O/c1-24-28-18-9-8-13-25(28)23-29-35-37(41-36(24)29)38-30-19-10-11-20-31(30)39(26-14-4-2-5-15-26)32-21-12-22-33(34(32)38)40(35)27-16-6-3-7-17-27;1-24-23-25-13-8-9-18-28(25)33-35-37(41-36(24)33)38-29-19-10-11-20-30(29)39(26-14-4-2-5-15-26)31-21-12-22-32(34(31)38)40(35)27-16-6-3-7-17-27;1-23-21-27-26-19-20-32-34(35(26)41-36(27)38-22-23)37-28-15-8-9-16-29(28)39(24-11-4-2-5-12-24)30-17-10-18-31(33(30)37)40(32)25-13-6-3-7-14-25;1-23-19-20-27-26-21-22-32-34(35(26)41-36(27)38-23)37-28-15-8-9-16-29(28)39(24-11-4-2-5-12-24)30-17-10-18-31(33(30)37)40(32)25-13-6-3-7-14-25/h2*2-23H,1H3;2*2-22H,1H3/i;;1D3;
InChIKeyIZSGYORGDHNNIG-ASTPDCTMSA-N
MW2134.86 g/mol
LogP31.64
Rot. Bonds9

About 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene

15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene (PubChem CID 165006220) has the molecular formula C146H98B4N10O2S2 and a molecular weight of 2134.86 g/mol. Its IUPAC name is 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene.

Molecular Properties

Compound Name15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene
PubChem CID165006220
Molecular FormulaC146H98B4N10O2S2
Molecular Weight2134.86 g/mol
Exact Mass2133.79
IUPAC Name15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene
SMILESCc1c2ccccc2cc2c3c(sc12)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N3c1ccccc1.Cc1cc2ccccc2c2c3c(sc12)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N3c1ccccc1.Cc1ccc2c(n1)oc1c3c(ccc12)N(c1ccccc1)c1cccc2c1B3c1ccccc1N2c1ccccc1.[2H]C([2H])([2H])c1cnc2oc3c4c(ccc3c2c1)N(c1ccccc1)c1cccc2c1B4c1ccccc1N2c1ccccc1
InChIInChI=1S/2C37H25BN2S.2C36H24BN3O/c1-24-28-18-9-8-13-25(28)23-29-35-37(41-36(24)29)38-30-19-10-11-20-31(30)39(26-14-4-2-5-15-26)32-21-12-22-33(34(32)38)40(35)27-16-6-3-7-17-27;1-24-23-25-13-8-9-18-28(25)33-35-37(41-36(24)33)38-29-19-10-11-20-30(29)39(26-14-4-2-5-15-26)31-21-12-22-32(34(31)38)40(35)27-16-6-3-7-17-27;1-23-21-27-26-19-20-32-34(35(26)41-36(27)38-22-23)37-28-15-8-9-16-29(28)39(24-11-4-2-5-12-24)30-17-10-18-31(33(30)37)40(32)25-13-6-3-7-14-25;1-23-19-20-27-26-21-22-32-34(35(26)41-36(27)38-23)37-28-15-8-9-16-29(28)39(24-11-4-2-5-12-24)30-17-10-18-31(33(30)37)40(32)25-13-6-3-7-14-25/h2*2-23H,1H3;2*2-22H,1H3/i;;1D3;
InChIKeyIZSGYORGDHNNIG-ASTPDCTMSA-N
XLogP31.64
TPSA77.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002134.86
LogP ≤ 531.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene with MolForge

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Related Compounds

8,14-diphenyl-18-(trideuteriomethyl)-22-thia-8,14,20-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16(21),17,19-decaene
CID 164806713
15,21-diphenyl-9-(trideuteriomethyl)-6-oxa-8,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,16,18,20(28),22,24,26-dodecaene
CID 164806676
15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene
CID 164803556
15,21-diphenyl-11-(trideuteriomethyl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.05,10.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene
CID 164806719
15,21-diphenyl-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.05,10.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene
CID 164803572
8,14-diphenyl-22-thia-8,14,19-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16(21),17,19-decaene
CID 176651723
2-chloro-1-N,1-N,3-N-triphenyl-3-N-[2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-6-yl]benzene-1,3-diamine;15,21-diphenyl-8-(trideuteriomethyl)-5-oxa-7,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaene
CID 165048805
3-methyl-5-(2-methylphenyl)-12,16,22-triphenyl-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene
CID 174110828
20,44-bis(2,4,6-trimethylphenyl)-17,41-dioxa-2,26-diaza-20,44-diboratridecacyclo[24.22.1.12,21.03,19.06,18.07,16.09,14.027,43.030,42.031,40.033,38.045,49.025,50]pentaconta-1(48),3(19),4,6(18),7,9,11,13,15,21(50),22,24,27(43),28,30(42),31,33,35,37,39,45(49),46-docosaene
CID 153424804
14-(2,4-dimethylphenyl)-N-naphthalen-1-yl-N,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 170939953
4,18-dimethyl-14-(4-methylphenyl)-8-(4-triphenylen-1-ylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
CID 171740527
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-15,21-diphenyl-12-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6(11),7,9,16,18,20(28),22,24,26-dodecaene
CID 176802072

Frequently Asked Questions

What is the IUPAC name of 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene?
The IUPAC name of 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene (CID 165006220) is 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene.
What is the SMILES notation for 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene?
The canonical SMILES for 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene is Cc1c2ccccc2cc2c3c(sc12)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N3c1ccccc1.Cc1cc2ccccc2c2c3c(sc12)B1c2ccccc2N(c2ccccc2)c2cccc(c21)N3c1ccccc1.Cc1ccc2c(n1)oc1c3c(ccc12)N(c1ccccc1)c1cccc2c1B3c1ccccc1N2c1ccccc1.[2H]C([2H])([2H])c1cnc2oc3c4c(ccc3c2c1)N(c1ccccc1)c1cccc2c1B4c1ccccc1N2c1ccccc1.
What is the InChIKey of 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene?
The InChIKey is IZSGYORGDHNNIG-ASTPDCTMSA-N. The full InChI is InChI=1S/2C37H25BN2S.2C36H24BN3O/c1-24-28-18-9-8-13-25(28)23-29-35-37(41-36(24)29)38-30-19-10-11-20-31(30)39(26-14-4-2-5-15-26)32-21-12-22-33(34(32)38)40(35)27-16-6-3-7-17-27;1-24-23-25-13-8-9-18-28(25)33-35-37(41-36(24)33)38-29-19-10-11-20-30(29)39(26-14-4-2-5-15-26)31-21-12-22-32(34(31)38)40(35)27-16-6-3-7-17-27;1-23-21-27-26-19-20-32-34(35(26)41-36(27)38-22-23)37-28-15-8-9-16-29(28)39(24-11-4-2-5-12-24)30-17-10-18-31(33(30)37)40(32)25-13-6-3-7-14-25;1-23-19-20-27-26-21-22-32-34(35(26)41-36(27)38-23)37-28-15-8-9-16-29(28)39(24-11-4-2-5-12-24)30-17-10-18-31(33(30)37)40(32)25-13-6-3-7-14-25/h2*2-23H,1H3;2*2-22H,1H3/i;;1D3;.
What are the key properties of 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene?
15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene has a molecular weight of 2134.86 g/mol, XLogP of 31.64, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 15,21-diphenyl-8-(trideuteriomethyl)-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;7-methyl-15,21-diphenyl-4-oxa-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6,8,10,12,16,18,20(28),22,24,26-dodecaene;5-methyl-15,21-diphenyl-3-thia-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-2(14),4(13),5,7,9,11,16,18,20(28),22,24,26-dodecaene is sourced from PubChem (CID 165006220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).