7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene

C138H84B4N4O4 — CID 159381010

IUPAC7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
SMILESCc1cc2c3ccccc3n3c2c2c1Cc1cccc4c1B2c1c-3cccc1C4(c1ccccc1)c1ccccc1.Cc1ccc2c3ccc4c5c3n(c2c1)-c1cccc2c1B5c1c(cccc1C2(c1ccccc1)c1ccccc1)C4.c1ccc(-c2ccc3c(c2)c2ccc4c5c2n3-c2cccc3c2B5c2c(cccc2O4)O3)cc1.c1ccc(-c2ccc3c4ccc5c6c4n(c3c2)-c2cccc3c2B6c2c(cccc2O5)O3)cc1
InChIInChI=1S/2C39H26BN.2C30H16BNO2/c1-24-18-20-29-30-21-19-26-23-25-10-8-15-31-35(25)40-36(26)38(30)41(34(29)22-24)33-17-9-16-32(37(33)40)39(31,27-11-4-2-5-12-27)28-13-6-3-7-14-28;1-24-22-30-28-17-8-9-20-33(28)41-34-21-11-19-32-37(34)40-35-25(23-29(24)36(40)38(30)41)12-10-18-31(35)39(32,26-13-4-2-5-14-26)27-15-6-3-7-16-27;1-2-6-17(7-3-1)18-12-14-21-20(16-18)19-13-15-26-29-30(19)32(21)22-8-4-9-23-27(22)31(29)28-24(33-23)10-5-11-25(28)34-26;1-2-6-17(7-3-1)18-12-13-19-20-14-15-26-29-30(20)32(22(19)16-18)21-8-4-9-23-27(21)31(29)28-24(33-23)10-5-11-25(28)34-26/h2*2-22H,23H2,1H3;2*1-16H
InChIKeyLKXFQEYZLFDYPM-UHFFFAOYSA-N
MW1905.46 g/mol
LogP24.03
Rot. Bonds6

About 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene

7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene (PubChem CID 159381010) has the molecular formula C138H84B4N4O4 and a molecular weight of 1905.46 g/mol. Its IUPAC name is 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene.

Molecular Properties

Compound Name7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
PubChem CID159381010
Molecular FormulaC138H84B4N4O4
Molecular Weight1905.46 g/mol
Exact Mass1904.69
IUPAC Name7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
SMILESCc1cc2c3ccccc3n3c2c2c1Cc1cccc4c1B2c1c-3cccc1C4(c1ccccc1)c1ccccc1.Cc1ccc2c3ccc4c5c3n(c2c1)-c1cccc2c1B5c1c(cccc1C2(c1ccccc1)c1ccccc1)C4.c1ccc(-c2ccc3c(c2)c2ccc4c5c2n3-c2cccc3c2B5c2c(cccc2O4)O3)cc1.c1ccc(-c2ccc3c4ccc5c6c4n(c3c2)-c2cccc3c2B6c2c(cccc2O5)O3)cc1
InChIInChI=1S/2C39H26BN.2C30H16BNO2/c1-24-18-20-29-30-21-19-26-23-25-10-8-15-31-35(25)40-36(26)38(30)41(34(29)22-24)33-17-9-16-32(37(33)40)39(31,27-11-4-2-5-12-27)28-13-6-3-7-14-28;1-24-22-30-28-17-8-9-20-33(28)41-34-21-11-19-32-37(34)40-35-25(23-29(24)36(40)38(30)41)12-10-18-31(35)39(32,26-13-4-2-5-14-26)27-15-6-3-7-16-27;1-2-6-17(7-3-1)18-12-14-21-20(16-18)19-13-15-26-29-30(19)32(21)22-8-4-9-23-27(22)31(29)28-24(33-23)10-5-11-25(28)34-26;1-2-6-17(7-3-1)18-12-13-19-20-14-15-26-29-30(20)32(22(19)16-18)21-8-4-9-23-27(21)31(29)28-24(33-23)10-5-11-25(28)34-26/h2*2-22H,23H2,1H3;2*1-16H
InChIKeyLKXFQEYZLFDYPM-UHFFFAOYSA-N
XLogP24.03
TPSA56.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001905.46
LogP ≤ 524.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene with MolForge

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Related Compounds

12,21,21-triphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2,5,7,9,11,13,16(28),17,19,22(27),23,25-dodecaene
CID 161493886
12-isocyano-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2,5,7,9,11,13,16(28),17,19,22(27),23,25-dodecaene;9-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;N,N,21,21-tetraphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaen-7-amine;N,N,21,21-tetraphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaen-8-amine
CID 160736796
5-methyl-21,21-diphenyl-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3(8),4,6,9,11,13(27),15,17,19,22(26),23-dodecaene
CID 158905544
CID 162121790
CID 162121790
12-phenyl-8-aza-15-boraheptacyclo[13.10.2.02,7.08,26.09,14.016,21.023,27]heptacosa-1(26),2,4,6,9(14),10,12,16,18,20,23(27),24-dodecaene
CID 159681185
13,17,19-trimethyl-22-oxa-8-aza-15-boraheptacyclo[13.10.2.02,7.08,26.09,14.016,21.023,27]heptacosa-1(26),2,4,6,9,11,13,16,18,20,23(27),24-dodecaene
CID 163877110
11-phenyl-8-aza-15-boraheptacyclo[13.10.2.02,7.08,26.09,14.016,21.023,27]heptacosa-1(26),2,4,6,9(14),10,12,16,18,20,23(27),24-dodecaene
CID 159681186
17-phenyl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene
CID 155637107
N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 71023378
11-methyl-8-aza-15-boraheptacyclo[13.10.2.02,7.08,26.09,14.016,21.023,27]heptacosa-1(26),2,4,6,9(14),10,12,16,18,20,23(27),24-dodecaene
CID 159120964
6,11-diphenyl-17-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15(20),16,18,22,24-dodecaene
CID 155637163
16-carbazol-9-yl-5,10,13,13-tetraphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;3-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-10-phenylphenoxazine;5-(9,9-dimethyl-7,10-diphenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-(2,7-diphenylcarbazol-9-yl)-13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 159668317

Frequently Asked Questions

What is the IUPAC name of 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?
The IUPAC name of 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene (CID 159381010) is 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene.
What is the SMILES notation for 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?
The canonical SMILES for 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene is Cc1cc2c3ccccc3n3c2c2c1Cc1cccc4c1B2c1c-3cccc1C4(c1ccccc1)c1ccccc1.Cc1ccc2c3ccc4c5c3n(c2c1)-c1cccc2c1B5c1c(cccc1C2(c1ccccc1)c1ccccc1)C4.c1ccc(-c2ccc3c(c2)c2ccc4c5c2n3-c2cccc3c2B5c2c(cccc2O4)O3)cc1.c1ccc(-c2ccc3c4ccc5c6c4n(c3c2)-c2cccc3c2B6c2c(cccc2O5)O3)cc1.
What is the InChIKey of 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?
The InChIKey is LKXFQEYZLFDYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H26BN.2C30H16BNO2/c1-24-18-20-29-30-21-19-26-23-25-10-8-15-31-35(25)40-36(26)38(30)41(34(29)22-24)33-17-9-16-32(37(33)40)39(31,27-11-4-2-5-12-27)28-13-6-3-7-14-28;1-24-22-30-28-17-8-9-20-33(28)41-34-21-11-19-32-37(34)40-35-25(23-29(24)36(40)38(30)41)12-10-18-31(35)39(32,26-13-4-2-5-14-26)27-15-6-3-7-16-27;1-2-6-17(7-3-1)18-12-14-21-20(16-18)19-13-15-26-29-30(19)32(21)22-8-4-9-23-27(22)31(29)28-24(33-23)10-5-11-25(28)34-26;1-2-6-17(7-3-1)18-12-13-19-20-14-15-26-29-30(20)32(22(19)16-18)21-8-4-9-23-27(21)31(29)28-24(33-23)10-5-11-25(28)34-26/h2*2-22H,23H2,1H3;2*1-16H.
What are the key properties of 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?
7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene has a molecular weight of 1905.46 g/mol, XLogP of 24.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16(28),17,19,22(27),23,25-dodecaene;13-methyl-21,21-diphenyl-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16(28),17,19,22(27),23,25-dodecaene;7-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene;8-phenyl-15,21-dioxa-4-aza-1-boraoctacyclo[14.11.1.02,14.03,11.04,26.05,10.020,28.022,27]octacosa-2(14),3(11),5(10),6,8,12,16,18,20(28),22,24,26-dodecaene is sourced from PubChem (CID 159381010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).