8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine

C186H149N5O4S2Si — CID 160662923

IUPAC8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(cc(-c3c(C([2H])([2H])C)ccc4c3nc3sc5ccccc5n34)c(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)C2(C)C.[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(cc(-c3c(C([2H])([2H])C)ccc4c3nc3sc5ccccc5n34)c(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)[Si]2(C)C.[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C21c2ccccc2Oc2cc(N3c4ccccc4C(C)(C)C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C69H53NO2.C59H48N2OS.C58H48N2OSSi/c1-42-31-36-57-63(39-42)72-66-59(37-32-43(2)65(66)44-33-35-52-50-23-10-9-21-48(50)46-19-7-8-20-47(46)49-22-11-12-24-51(49)53(52)40-44)69(57)56-27-15-18-30-62(56)71-64-41-45(34-38-58(64)69)70-60-28-16-13-25-54(60)67(3,4)68(5,6)55-26-14-17-29-61(55)70;1-8-36-27-30-50-55(60-57-61(50)49-23-15-16-24-52(49)63-57)54(36)45-33-48-56(62-51-31-34(2)25-29-47(51)58(4,5)59(48,6)7)53(35(45)3)37-26-28-44-42-21-12-11-19-40(42)38-17-9-10-18-39(38)41-20-13-14-22-43(41)46(44)32-37;1-8-36-27-29-49-55(59-57-60(49)48-23-15-16-24-51(48)62-57)54(36)45-33-47-56(61-50-31-34(2)25-30-52(50)63(6,7)58(47,4)5)53(35(45)3)37-26-28-44-42-21-12-11-19-40(42)38-17-9-10-18-39(38)41-20-13-14-22-43(41)46(44)32-37/h7-41H,1-6H3;2*9-33H,8H2,1-7H3/b48-46-,49-47-,52-50-,53-51-;2*40-38-,41-39-,44-42-,46-43-/i1D3,2D3;2*2D3,3D3,8D2
InChIKeyRLXIZBJFHXOKEL-QWJCJKDVSA-N
MW2632.62 g/mol
LogP50.88
Rot. Bonds14

About 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine

8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine (PubChem CID 160662923) has the molecular formula C186H149N5O4S2Si and a molecular weight of 2632.62 g/mol. Its IUPAC name is 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine.

Molecular Properties

Compound Name8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine
PubChem CID160662923
Molecular FormulaC186H149N5O4S2Si
Molecular Weight2632.62 g/mol
Exact Mass2630.22
IUPAC Name8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(cc(-c3c(C([2H])([2H])C)ccc4c3nc3sc5ccccc5n34)c(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)C2(C)C.[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(cc(-c3c(C([2H])([2H])C)ccc4c3nc3sc5ccccc5n34)c(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)[Si]2(C)C.[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C21c2ccccc2Oc2cc(N3c4ccccc4C(C)(C)C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C69H53NO2.C59H48N2OS.C58H48N2OSSi/c1-42-31-36-57-63(39-42)72-66-59(37-32-43(2)65(66)44-33-35-52-50-23-10-9-21-48(50)46-19-7-8-20-47(46)49-22-11-12-24-51(49)53(52)40-44)69(57)56-27-15-18-30-62(56)71-64-41-45(34-38-58(64)69)70-60-28-16-13-25-54(60)67(3,4)68(5,6)55-26-14-17-29-61(55)70;1-8-36-27-30-50-55(60-57-61(50)49-23-15-16-24-52(49)63-57)54(36)45-33-48-56(62-51-31-34(2)25-29-47(51)58(4,5)59(48,6)7)53(35(45)3)37-26-28-44-42-21-12-11-19-40(42)38-17-9-10-18-39(38)41-20-13-14-22-43(41)46(44)32-37;1-8-36-27-29-49-55(59-57-60(49)48-23-15-16-24-51(48)62-57)54(36)45-33-47-56(61-50-31-34(2)25-30-52(50)63(6,7)58(47,4)5)53(35(45)3)37-26-28-44-42-21-12-11-19-40(42)38-17-9-10-18-39(38)41-20-13-14-22-43(41)46(44)32-37/h7-41H,1-6H3;2*9-33H,8H2,1-7H3/b48-46-,49-47-,52-50-,53-51-;2*40-38-,41-39-,44-42-,46-43-/i1D3,2D3;2*2D3,3D3,8D2
InChIKeyRLXIZBJFHXOKEL-QWJCJKDVSA-N
XLogP50.88
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002632.62
LogP ≤ 550.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine with MolForge

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Related Compounds

8-(1-deuteriocyclopentyl)-7-[3-[5-[9-(1-deuteriocyclopentyl)-5,5,6,6-tetramethylbenzo[b][1,5]benzoxasilepin-10-yl]-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 140937424
2-[3,6,9,9-tetrakis(trideuteriomethyl)xanthen-4-yl]-5-tetraphenylen-2-yl-3,6,9,9-tetrakis(trideuteriomethyl)xanthene
CID 168793077
5-[3-[5-(3-tert-butyl-10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(1,1-dideuterioethyl)-4-[3-[5-[10,10-dimethyl-3-(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole;3-(1,1-dideuterioethyl)-4-[3-[5-[9,9-dimethyl-3-(trideuteriomethyl)thioxanthen-4-yl]-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 162138232
4-[3-[6-[3,9-dimethyl-9-(trideuteriomethyl)xanthen-4-yl]-3-(trideuteriomethyl)-2-pyridinyl]-4-(trideuteriomethyl)phenyl]-3-methylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 161368594
14-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene]
CID 177278079
5-[3-[5-(2-tert-butyl-5,5,6,6-tetramethylbenzo[b][1]benzothiepin-1-yl)-2-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(1,1-dideuterioethyl)-4-[4-[5-[5,5,6,6-tetramethyl-2-(trideuteriomethyl)benzo[b][1]benzoxepin-1-yl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyrimidin-2-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 159754409
4-[5-tetraphenylen-2-yl-3,6,9,9-tetrakis(trideuteriomethyl)xanthen-2-yl]-3-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 167413395
6-(1,1-dideuterioethyl)-9,9-dimethyl-2-tetraphenylen-2-yl-3-(trideuteriomethyl)xanthene;(9,9-dimethylxanthen-4-yl)-[3-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;4'-tetraphenylen-2-yl-3',6'-bis(trideuteriomethyl)spiro[9H-anthracene-10,9'-thioxanthene];4'-tetraphenylen-2-yl-3',7'-bis(trideuteriomethyl)spiro[10H-benzo[b][1]benzosiline-5,10'-benzo[b][1,4]benzothiasiline]
CID 157296608
14-(3',7'-ditert-butyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene]
CID 177278092
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425
2-(7,10-diphenylspiro[acridine-9,9'-thioxanthene]-2-yl)-7,10-diphenylspiro[acridine-9,9'-xanthene];10-(9-phenylcarbazol-2-yl)-2-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-thioxanthene];10'-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-acridine];10'-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene-13,9'-acridine];12,12,20,20-tetramethyl-16-(4-phenylphenyl)spiro[16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene-2,9'-thioxanthene];2,7,10-triphenylspiro[acridine-9,9'-thioxanthene]
CID 157437189

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine?
The IUPAC name of 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine (CID 160662923) is 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine.
What is the SMILES notation for 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine?
The canonical SMILES for 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine is [2H]C([2H])([2H])c1ccc2c(c1)Oc1c(cc(-c3c(C([2H])([2H])C)ccc4c3nc3sc5ccccc5n34)c(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)C2(C)C.[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(cc(-c3c(C([2H])([2H])C)ccc4c3nc3sc5ccccc5n34)c(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C(C)(C)[Si]2(C)C.[2H]C([2H])([2H])c1ccc2c(c1)Oc1c(ccc(C([2H])([2H])[2H])c1-c1ccc3c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-3)C21c2ccccc2Oc2cc(N3c4ccccc4C(C)(C)C(C)(C)c4ccccc43)ccc21.
What is the InChIKey of 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine?
The InChIKey is RLXIZBJFHXOKEL-QWJCJKDVSA-N. The full InChI is InChI=1S/C69H53NO2.C59H48N2OS.C58H48N2OSSi/c1-42-31-36-57-63(39-42)72-66-59(37-32-43(2)65(66)44-33-35-52-50-23-10-9-21-48(50)46-19-7-8-20-47(46)49-22-11-12-24-51(49)53(52)40-44)69(57)56-27-15-18-30-62(56)71-64-41-45(34-38-58(64)69)70-60-28-16-13-25-54(60)67(3,4)68(5,6)55-26-14-17-29-61(55)70;1-8-36-27-30-50-55(60-57-61(50)49-23-15-16-24-52(49)63-57)54(36)45-33-48-56(62-51-31-34(2)25-29-47(51)58(4,5)59(48,6)7)53(35(45)3)37-26-28-44-42-21-12-11-19-40(42)38-17-9-10-18-39(38)41-20-13-14-22-43(41)46(44)32-37;1-8-36-27-29-49-55(59-57-60(49)48-23-15-16-24-51(48)62-57)54(36)45-33-47-56(61-50-31-34(2)25-30-52(50)63(6,7)58(47,4)5)53(35(45)3)37-26-28-44-42-21-12-11-19-40(42)38-17-9-10-18-39(38)41-20-13-14-22-43(41)46(44)32-37/h7-41H,1-6H3;2*9-33H,8H2,1-7H3/b48-46-,49-47-,52-50-,53-51-;2*40-38-,41-39-,44-42-,46-43-/i1D3,2D3;2*2D3,3D3,8D2.
What are the key properties of 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine?
8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine has a molecular weight of 2632.62 g/mol, XLogP of 50.88, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-10-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1,4]benzoxasilepin-8-yl]benzimidazolo[2,1-b][1,3]benzothiazole;8-(1,1-dideuterioethyl)-7-[5,5,6,6-tetramethyl-1-tetraphenylen-2-yl-2,9-bis(trideuteriomethyl)benzo[b][1]benzoxepin-3-yl]benzimidazolo[2,1-b][1,3]benzothiazole;5,5,6,6-tetramethyl-11-[4-tetraphenylen-2-yl-3,6-bis(trideuteriomethyl)-9,9'-spirobi[xanthene]-3'-yl]benzo[b][1]benzazepine is sourced from PubChem (CID 160662923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).