2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene

C197H130B4N16O4Si3 — CID 167675073

IUPAC2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4cccnc4)c4c5c(cc2c43)N(c2cccc3nccnc23)c2ccccc2O5)cc1.c1ccc(N2c3ccccc3Oc3c2cc2c4c3N(c3cccnc3)c3ccccc3B4c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4cccnc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4ccncc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1
InChIInChI=1S/C50H32BN5O.2C50H33BN4OSi.C47H32BN3OSi/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)36-20-7-8-21-38(36)51-39-22-9-10-24-41(39)55(35-19-14-28-52-32-35)48-46(51)37(50)31-44-49(48)57-45-27-12-11-25-42(45)56(44)43-26-13-23-40-47(43)54-30-29-53-40;1-3-19-36(20-4-1)57(37-21-5-2-6-22-37)45-29-12-8-24-39(45)51-38-23-7-9-25-40(38)54(35-18-15-30-52-33-35)49-47(51)46(57)32-43-50(49)56-44-28-11-10-26-41(44)55(43)42-27-13-16-34-17-14-31-53-48(34)42;1-3-17-36(18-4-1)57(37-19-5-2-6-20-37)45-27-12-8-22-39(45)51-38-21-7-9-23-40(38)54(35-28-31-52-32-29-35)49-47(51)46(57)33-43-50(49)56-44-26-11-10-24-41(44)55(43)42-25-13-15-34-16-14-30-53-48(34)42;1-4-17-33(18-5-1)50-40-27-13-14-28-42(40)52-47-41(50)31-44-45-46(47)51(34-19-16-30-49-32-34)39-26-12-10-24-37(39)48(45)38-25-11-15-29-43(38)53(44,35-20-6-2-7-21-35)36-22-8-3-9-23-36/h1-32H;2*1-33H;1-32H
InChIKeyURNBEWWVIJVGED-UHFFFAOYSA-N
MW2912.82 g/mol
LogP30.63
Rot. Bonds16

About 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene

2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene (PubChem CID 167675073) has the molecular formula C197H130B4N16O4Si3 and a molecular weight of 2912.82 g/mol. Its IUPAC name is 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene.

Molecular Properties

Compound Name2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
PubChem CID167675073
Molecular FormulaC197H130B4N16O4Si3
Molecular Weight2912.82 g/mol
Exact Mass2911.01
IUPAC Name2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4cccnc4)c4c5c(cc2c43)N(c2cccc3nccnc23)c2ccccc2O5)cc1.c1ccc(N2c3ccccc3Oc3c2cc2c4c3N(c3cccnc3)c3ccccc3B4c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4cccnc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4ccncc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1
InChIInChI=1S/C50H32BN5O.2C50H33BN4OSi.C47H32BN3OSi/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)36-20-7-8-21-38(36)51-39-22-9-10-24-41(39)55(35-19-14-28-52-32-35)48-46(51)37(50)31-44-49(48)57-45-27-12-11-25-42(45)56(44)43-26-13-23-40-47(43)54-30-29-53-40;1-3-19-36(20-4-1)57(37-21-5-2-6-22-37)45-29-12-8-24-39(45)51-38-23-7-9-25-40(38)54(35-18-15-30-52-33-35)49-47(51)46(57)32-43-50(49)56-44-28-11-10-26-41(44)55(43)42-27-13-16-34-17-14-31-53-48(34)42;1-3-17-36(18-4-1)57(37-19-5-2-6-20-37)45-27-12-8-22-39(45)51-38-21-7-9-23-40(38)54(35-28-31-52-32-29-35)49-47(51)46(57)33-43-50(49)56-44-26-11-10-24-41(44)55(43)42-25-13-15-34-16-14-30-53-48(34)42;1-4-17-33(18-5-1)50-40-27-13-14-28-42(40)52-47-41(50)31-44-45-46(47)51(34-19-16-30-49-32-34)39-26-12-10-24-37(39)48(45)38-25-11-15-29-43(38)53(44,35-20-6-2-7-21-35)36-22-8-3-9-23-36/h1-32H;2*1-33H;1-32H
InChIKeyURNBEWWVIJVGED-UHFFFAOYSA-N
XLogP30.63
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002912.82
LogP ≤ 530.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene with MolForge

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Related Compounds

2,2,16-triphenyl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 165381754
2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 165381551
2,2,16,26-tetraphenyl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381440
2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381503
2,2,16,19-tetraphenyl-26-quinoxalin-5-yl-16,26-diaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381756
26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 165381676
2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 165381495
26-naphthalen-1-yl-2,2,19-triphenyl-16-pyridin-3-yl-16,19,26-triaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381763
26-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,2,16-triphenyl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;methane;4-(2,2,16-triphenyl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaen-26-yl)benzonitrile;2,2,16-triphenyl-26-(3-pyridin-4-ylphenyl)-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 167611441
2,2,26-triphenyl-16-pyridin-3-yl-19-thia-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381714
2,19-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 165381614
2,2,16-triphenyl-26-pyridin-4-yl-19-thia-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381591

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?
The IUPAC name of 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene (CID 167675073) is 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene.
What is the SMILES notation for 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?
The canonical SMILES for 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene is c1ccc(C2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4cccnc4)c4c5c(cc2c43)N(c2cccc3nccnc23)c2ccccc2O5)cc1.c1ccc(N2c3ccccc3Oc3c2cc2c4c3N(c3cccnc3)c3ccccc3B4c3ccccc3[Si]2(c2ccccc2)c2ccccc2)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4cccnc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3B3c4ccccc4N(c4ccncc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1.
What is the InChIKey of 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?
The InChIKey is URNBEWWVIJVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32BN5O.2C50H33BN4OSi.C47H32BN3OSi/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)36-20-7-8-21-38(36)51-39-22-9-10-24-41(39)55(35-19-14-28-52-32-35)48-46(51)37(50)31-44-49(48)57-45-27-12-11-25-42(45)56(44)43-26-13-23-40-47(43)54-30-29-53-40;1-3-19-36(20-4-1)57(37-21-5-2-6-22-37)45-29-12-8-24-39(45)51-38-23-7-9-25-40(38)54(35-18-15-30-52-33-35)49-47(51)46(57)32-43-50(49)56-44-28-11-10-26-41(44)55(43)42-27-13-16-34-17-14-31-53-48(34)42;1-3-17-36(18-4-1)57(37-19-5-2-6-20-37)45-27-12-8-22-39(45)51-38-21-7-9-23-40(38)54(35-28-31-52-32-29-35)49-47(51)46(57)33-43-50(49)56-44-26-11-10-24-41(44)55(43)42-25-13-15-34-16-14-30-53-48(34)42;1-4-17-33(18-5-1)50-40-27-13-14-28-42(40)52-47-41(50)31-44-45-46(47)51(34-19-16-30-49-32-34)39-26-12-10-24-37(39)48(45)38-25-11-15-29-43(38)53(44,35-20-6-2-7-21-35)36-22-8-3-9-23-36/h1-32H;2*1-33H;1-32H.
What are the key properties of 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene?
2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene has a molecular weight of 2912.82 g/mol, XLogP of 30.63, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;2,2-diphenyl-16-pyridin-3-yl-26-quinoxalin-5-yl-19-oxa-16,26-diaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,2,26-triphenyl-16-pyridin-3-yl-19-oxa-16,26-diaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene is sourced from PubChem (CID 167675073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).