9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine

C117H100B3N3O3Si — CID 159404376

IUPAC9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine
SMILESCc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C)c1.Cc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C)c1.Cc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc32)c(C)c1
InChIInChI=1S/C46H36BNO.C36H32BNO.C35H32BNOSi/c1-31-28-32(2)45(33(3)29-31)47-41-27-26-36(30-38(41)37-20-10-15-25-44(37)49-47)48-42-23-13-11-21-39(42)46(34-16-6-4-7-17-34,35-18-8-5-9-19-35)40-22-12-14-24-43(40)48;1-23-20-24(2)35(25(3)21-23)37-31-19-18-26(22-28(31)27-12-6-11-17-34(27)39-37)38-32-15-9-7-13-29(32)36(4,5)30-14-8-10-16-33(30)38;1-23-20-24(2)35(25(3)21-23)36-29-19-18-26(22-28(29)27-12-6-9-15-32(27)38-36)37-30-13-7-10-16-33(30)39(4,5)34-17-11-8-14-31(34)37/h4-30H,1-3H3;2*6-22H,1-5H3
InChIKeyLNTLHEHZIJSPBG-UHFFFAOYSA-N
MW1656.63 g/mol
LogP24.21
Rot. Bonds8

About 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine

9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine (PubChem CID 159404376) has the molecular formula C117H100B3N3O3Si and a molecular weight of 1656.63 g/mol. Its IUPAC name is 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine
PubChem CID159404376
Molecular FormulaC117H100B3N3O3Si
Molecular Weight1656.63 g/mol
Exact Mass1655.78
IUPAC Name9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine
SMILESCc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C)c1.Cc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C)c1.Cc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc32)c(C)c1
InChIInChI=1S/C46H36BNO.C36H32BNO.C35H32BNOSi/c1-31-28-32(2)45(33(3)29-31)47-41-27-26-36(30-38(41)37-20-10-15-25-44(37)49-47)48-42-23-13-11-21-39(42)46(34-16-6-4-7-17-34,35-18-8-5-9-19-35)40-22-12-14-24-43(40)48;1-23-20-24(2)35(25(3)21-23)37-31-19-18-26(22-28(31)27-12-6-11-17-34(27)39-37)38-32-15-9-7-13-29(32)36(4,5)30-14-8-10-16-33(30)38;1-23-20-24(2)35(25(3)21-23)36-29-19-18-26(22-28(29)27-12-6-9-15-32(27)38-36)37-30-13-7-10-16-33(30)39(4,5)34-17-11-8-14-31(34)37/h4-30H,1-3H3;2*6-22H,1-5H3
InChIKeyLNTLHEHZIJSPBG-UHFFFAOYSA-N
XLogP24.21
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001656.63
LogP ≤ 524.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine with MolForge

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Related Compounds

10-(2,20-dithia-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dithia-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-dimethylbenzo[b][1,4]benzazasiline;10-(2,20-dithia-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-diphenylacridine
CID 157182655
3-[5-(9-oxothioxanthen-3-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thioxanthen-9-one;3-[11,11,22,22-tetramethyl-15-(9-oxothioxanthen-3-yl)-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaen-4-yl]thioxanthen-9-one;3-[7,7,14,14-tetramethyl-5-(9-oxothioxanthen-3-yl)quinolino[2,3-b]acridin-12-yl]thioxanthen-9-one
CID 159353540
9,9-bis(2,4,6-trimethylphenyl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7-dimethyl-9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-(9,9-diphenylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-diphenylacridine;9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine
CID 158446999
2-carbazol-9-yl-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;2-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine;5-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 161201632
10-[4,8-bis(4,6-diphenylpyrimidin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine;10-[6-(9,9-dimethylacridin-10-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylacridine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 158798738
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59219940
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
9,12,12,29,32,32-hexamethyl-16,36-bis(2,4,6-trimethylphenyl)-2,22-diaza-16,36-diboraundecacyclo[20.18.1.12,17.03,15.05,13.06,11.023,35.025,33.026,31.037,41.021,42]dotetraconta-1(40),3,5(13),6(11),7,9,14,17(42),18,20,23,25(33),26(31),27,29,34,37(41),38-octadecaene;12,12,32,32-tetramethyl-16,36-bis(2,4,6-trimethylphenyl)-2,22-diaza-16,36-diboraundecacyclo[20.18.1.12,17.03,15.05,13.06,11.023,35.025,33.026,31.037,41.021,42]dotetraconta-1(40),3,5(13),6,8,10,14,17(42),18,20,23,25(33),26,28,30,34,37(41),38-octadecaene;12,12,32,32-tetraphenyl-16,36-bis(2,4,6-trimethylphenyl)-2,22-diaza-16,36-diboraundecacyclo[20.18.1.12,17.03,15.05,13.06,11.023,35.025,33.026,31.037,41.021,42]dotetraconta-1(40),3,5(13),6,8,10,14,17(42),18,20,23,25(33),26,28,30,34,37(41),38-octadecaene
CID 159995113
17-methyl-27,27-diphenyl-9-oxa-2,20-diaza-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene
CID 174017831

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine?
The IUPAC name of 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine (CID 159404376) is 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine?
The canonical SMILES for 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine is Cc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C)c1.Cc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C)c1.Cc1cc(C)c(B2Oc3ccccc3-c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc32)c(C)c1.
What is the InChIKey of 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine?
The InChIKey is LNTLHEHZIJSPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36BNO.C36H32BNO.C35H32BNOSi/c1-31-28-32(2)45(33(3)29-31)47-41-27-26-36(30-38(41)37-20-10-15-25-44(37)49-47)48-42-23-13-11-21-39(42)46(34-16-6-4-7-17-34,35-18-8-5-9-19-35)40-22-12-14-24-43(40)48;1-23-20-24(2)35(25(3)21-23)37-31-19-18-26(22-28(31)27-12-6-11-17-34(27)39-37)38-32-15-9-7-13-29(32)36(4,5)30-14-8-10-16-33(30)38;1-23-20-24(2)35(25(3)21-23)36-29-19-18-26(22-28(29)27-12-6-9-15-32(27)38-36)37-30-13-7-10-16-33(30)39(4,5)34-17-11-8-14-31(34)37/h4-30H,1-3H3;2*6-22H,1-5H3.
What are the key properties of 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine?
9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine has a molecular weight of 1656.63 g/mol, XLogP of 24.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine;10,10-dimethyl-5-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]benzo[b][1,4]benzazasiline;9,9-diphenyl-10-[6-(2,4,6-trimethylphenyl)benzo[c][1,2]benzoxaborinin-9-yl]acridine is sourced from PubChem (CID 159404376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).