1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]

C260H184N16Si4 — CID 161337132

IUPAC1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]
SMILESCc1ccc(N2c3c(c4ccccc4c4ccccc34)N(c3ccc(C)cc3)[Si]23N(c2ccc(C)cc2)c2c(c4ccccc4c4ccccc24)N3c2ccc(C)cc2)cc1.c1ccc(-c2ccc(N3c4c(c5ccccc5c5ccccc45)N(c4ccc(-c5ccccc5)cc4)[Si]34N(c3ccc(-c5ccccc5)cc3)c3c(c5ccccc5c5ccccc35)N4c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2cccc(N3c4c(c5ccccc5c5ccccc45)N(c4cccc(-c5ccccc5)c4)[Si]34N(c3cccc(-c5ccccc5)c3)c3c(c5ccccc5c5ccccc35)N4c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc2c(c1)N(c1cccc3ccccc13)[Si]1(N2c2cccc3ccccc23)N(c2cccc3ccccc23)c2ccccc2N1c1cccc2ccccc12
InChIInChI=1S/2C76H52N4Si.C56H44N4Si.C52H36N4Si/c1-5-25-53(26-6-1)57-33-21-37-61(49-57)77-73-69-45-17-13-41-65(69)66-42-14-18-46-70(66)74(73)78(62-38-22-34-58(50-62)54-27-7-2-8-28-54)81(77)79(63-39-23-35-59(51-63)55-29-9-3-10-30-55)75-71-47-19-15-43-67(71)68-44-16-20-48-72(68)76(75)80(81)64-40-24-36-60(52-64)56-31-11-4-12-32-56;1-5-21-53(22-6-1)57-37-45-61(46-38-57)77-73-69-33-17-13-29-65(69)66-30-14-18-34-70(66)74(73)78(62-47-39-58(40-48-62)54-23-7-2-8-24-54)81(77)79(63-49-41-59(42-50-63)55-25-9-3-10-26-55)75-71-35-19-15-31-67(71)68-32-16-20-36-72(68)76(75)80(81)64-51-43-60(44-52-64)56-27-11-4-12-28-56;1-37-21-29-41(30-22-37)57-53-49-17-9-5-13-45(49)46-14-6-10-18-50(46)54(53)58(42-31-23-38(2)24-32-42)61(57)59(43-33-25-39(3)26-34-43)55-51-19-11-7-15-47(51)48-16-8-12-20-52(48)56(55)60(61)44-35-27-40(4)28-36-44;1-5-25-41-37(17-1)21-13-33-45(41)53-49-29-9-10-30-50(49)54(46-34-14-22-38-18-2-6-26-42(38)46)57(53)55(47-35-15-23-39-19-3-7-27-43(39)47)51-31-11-12-32-52(51)56(57)48-36-16-24-40-20-4-8-28-44(40)48/h2*1-52H;5-36H,1-4H3;1-36H
InChIKeyVMEJTYFKXQFGIX-UHFFFAOYSA-N
MW3644.79 g/mol
LogP70.63
Rot. Bonds24

About 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]

1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole] (PubChem CID 161337132) has the molecular formula C260H184N16Si4 and a molecular weight of 3644.79 g/mol. Its IUPAC name is 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole].

Molecular Properties

Compound Name1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]
PubChem CID161337132
Molecular FormulaC260H184N16Si4
Molecular Weight3644.79 g/mol
Exact Mass3641.40
IUPAC Name1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]
SMILESCc1ccc(N2c3c(c4ccccc4c4ccccc34)N(c3ccc(C)cc3)[Si]23N(c2ccc(C)cc2)c2c(c4ccccc4c4ccccc24)N3c2ccc(C)cc2)cc1.c1ccc(-c2ccc(N3c4c(c5ccccc5c5ccccc45)N(c4ccc(-c5ccccc5)cc4)[Si]34N(c3ccc(-c5ccccc5)cc3)c3c(c5ccccc5c5ccccc35)N4c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2cccc(N3c4c(c5ccccc5c5ccccc45)N(c4cccc(-c5ccccc5)c4)[Si]34N(c3cccc(-c5ccccc5)c3)c3c(c5ccccc5c5ccccc35)N4c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc2c(c1)N(c1cccc3ccccc13)[Si]1(N2c2cccc3ccccc23)N(c2cccc3ccccc23)c2ccccc2N1c1cccc2ccccc12
InChIInChI=1S/2C76H52N4Si.C56H44N4Si.C52H36N4Si/c1-5-25-53(26-6-1)57-33-21-37-61(49-57)77-73-69-45-17-13-41-65(69)66-42-14-18-46-70(66)74(73)78(62-38-22-34-58(50-62)54-27-7-2-8-28-54)81(77)79(63-39-23-35-59(51-63)55-29-9-3-10-30-55)75-71-47-19-15-43-67(71)68-44-16-20-48-72(68)76(75)80(81)64-40-24-36-60(52-64)56-31-11-4-12-32-56;1-5-21-53(22-6-1)57-37-45-61(46-38-57)77-73-69-33-17-13-29-65(69)66-30-14-18-34-70(66)74(73)78(62-47-39-58(40-48-62)54-23-7-2-8-24-54)81(77)79(63-49-41-59(42-50-63)55-25-9-3-10-26-55)75-71-35-19-15-31-67(71)68-32-16-20-36-72(68)76(75)80(81)64-51-43-60(44-52-64)56-27-11-4-12-28-56;1-37-21-29-41(30-22-37)57-53-49-17-9-5-13-45(49)46-14-6-10-18-50(46)54(53)58(42-31-23-38(2)24-32-42)61(57)59(43-33-25-39(3)26-34-43)55-51-19-11-7-15-47(51)48-16-8-12-20-52(48)56(55)60(61)44-35-27-40(4)28-36-44;1-5-25-41-37(17-1)21-13-33-45(41)53-49-29-9-10-30-50(49)54(46-34-14-22-38-18-2-6-26-42(38)46)57(53)55(47-35-15-23-39-19-3-7-27-43(39)47)51-31-11-12-32-52(51)56(57)48-36-16-24-40-20-4-8-28-44(40)48/h2*1-52H;5-36H,1-4H3;1-36H
InChIKeyVMEJTYFKXQFGIX-UHFFFAOYSA-N
XLogP70.63
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003644.79
LogP ≤ 570.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole] with MolForge

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Related Compounds

1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole]
CID 58249979
5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]
CID 58249847
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158986267
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(4-methylphenyl)-3,6-diphenylcarbazole;9-(2-methylphenyl)-3-phenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 161360746
12,14-bis(3-methylphenyl)-13,13-diphenyl-12,14-diaza-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;12,14-bis(4-methylphenyl)-13-naphthalen-1-yl-13-phenyl-12,14-diaza-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;6,6-bis(4-phenylphenyl)-5,7-dipyridin-4-ylbenzo[d][1,3,2]benzodiazasilepine;12,13,13,14-tetrakis(3-phenylphenyl)-12,14-diaza-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 157138600
1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole
CID 144578962
2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole
CID 58249953
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
9-(4-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501127

Frequently Asked Questions

What is the IUPAC name of 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]?
The IUPAC name of 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole] (CID 161337132) is 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole].
What is the SMILES notation for 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]?
The canonical SMILES for 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole] is Cc1ccc(N2c3c(c4ccccc4c4ccccc34)N(c3ccc(C)cc3)[Si]23N(c2ccc(C)cc2)c2c(c4ccccc4c4ccccc24)N3c2ccc(C)cc2)cc1.c1ccc(-c2ccc(N3c4c(c5ccccc5c5ccccc45)N(c4ccc(-c5ccccc5)cc4)[Si]34N(c3ccc(-c5ccccc5)cc3)c3c(c5ccccc5c5ccccc35)N4c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2cccc(N3c4c(c5ccccc5c5ccccc45)N(c4cccc(-c5ccccc5)c4)[Si]34N(c3cccc(-c5ccccc5)c3)c3c(c5ccccc5c5ccccc35)N4c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc2c(c1)N(c1cccc3ccccc13)[Si]1(N2c2cccc3ccccc23)N(c2cccc3ccccc23)c2ccccc2N1c1cccc2ccccc12.
What is the InChIKey of 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]?
The InChIKey is VMEJTYFKXQFGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C76H52N4Si.C56H44N4Si.C52H36N4Si/c1-5-25-53(26-6-1)57-33-21-37-61(49-57)77-73-69-45-17-13-41-65(69)66-42-14-18-46-70(66)74(73)78(62-38-22-34-58(50-62)54-27-7-2-8-28-54)81(77)79(63-39-23-35-59(51-63)55-29-9-3-10-30-55)75-71-47-19-15-43-67(71)68-44-16-20-48-72(68)76(75)80(81)64-40-24-36-60(52-64)56-31-11-4-12-32-56;1-5-21-53(22-6-1)57-37-45-61(46-38-57)77-73-69-33-17-13-29-65(69)66-30-14-18-34-70(66)74(73)78(62-47-39-58(40-48-62)54-23-7-2-8-24-54)81(77)79(63-49-41-59(42-50-63)55-25-9-3-10-26-55)75-71-35-19-15-31-67(71)68-32-16-20-36-72(68)76(75)80(81)64-51-43-60(44-52-64)56-27-11-4-12-28-56;1-37-21-29-41(30-22-37)57-53-49-17-9-5-13-45(49)46-14-6-10-18-50(46)54(53)58(42-31-23-38(2)24-32-42)61(57)59(43-33-25-39(3)26-34-43)55-51-19-11-7-15-47(51)48-16-8-12-20-52(48)56(55)60(61)44-35-27-40(4)28-36-44;1-5-25-41-37(17-1)21-13-33-45(41)53-49-29-9-10-30-50(49)54(46-34-14-22-38-18-2-6-26-42(38)46)57(53)55(47-35-15-23-39-19-3-7-27-43(39)47)51-31-11-12-32-52(51)56(57)48-36-16-24-40-20-4-8-28-44(40)48/h2*1-52H;5-36H,1-4H3;1-36H.
What are the key properties of 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]?
1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole] has a molecular weight of 3644.79 g/mol, XLogP of 70.63, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole] is sourced from PubChem (CID 161337132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).