2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline

C192H136N6Si6 — CID 158203104

IUPAC2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline
SMILESCc1cc(-c2ccc(-c3ccc4c(c3)-c3ccccc3[Si]4(C)C)cc2)nc2c1ccc1c(C)cc(-c3ccc(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)cc3)nc12.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9ccc%10c(c9)-c9ccccc9[Si]%10(c9ccccc9)c9ccccc9)cc8)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc9c(c8)-c8ccccc8[Si]9(c8ccccc8)c8ccccc8)nc7c6n5)cc4)ccc32)cc1
InChIInChI=1S/C72H48N2Si2.C66H44N2Si2.C54H44N2Si2/c1-5-17-57(18-6-1)75(58-19-7-2-8-20-58)67-27-15-13-25-61(67)63-47-55(41-45-69(63)75)49-29-33-51(34-30-49)65-43-39-53-37-38-54-40-44-66(74-72(54)71(53)73-65)52-35-31-50(32-36-52)56-42-46-70-64(48-56)62-26-14-16-28-68(62)76(70,59-21-9-3-10-22-59)60-23-11-4-12-24-60;1-5-17-51(18-6-1)69(52-19-7-2-8-20-52)61-27-15-13-25-55(61)57-43-49(37-41-63(57)69)45-29-31-46(32-30-45)59-39-35-47-33-34-48-36-40-60(68-66(48)65(47)67-59)50-38-42-64-58(44-50)56-26-14-16-28-62(56)70(64,53-21-9-3-10-22-53)54-23-11-4-12-24-54;1-33-29-47(37-19-15-35(16-20-37)39-23-27-51-45(31-39)43-11-7-9-13-49(43)57(51,3)4)55-53-41(33)25-26-42-34(2)30-48(56-54(42)53)38-21-17-36(18-22-38)40-24-28-52-46(32-40)44-12-8-10-14-50(44)58(52,5)6/h1-48H;1-44H;7-32H,1-6H3
InChIKeyGBEFGVKNXGCRGS-UHFFFAOYSA-N
MW2695.76 g/mol
LogP34.34
Rot. Bonds19

About 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline

2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 158203104) has the molecular formula C192H136N6Si6 and a molecular weight of 2695.76 g/mol. Its IUPAC name is 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline
PubChem CID158203104
Molecular FormulaC192H136N6Si6
Molecular Weight2695.76 g/mol
Exact Mass2692.94
IUPAC Name2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline
SMILESCc1cc(-c2ccc(-c3ccc4c(c3)-c3ccccc3[Si]4(C)C)cc2)nc2c1ccc1c(C)cc(-c3ccc(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)cc3)nc12.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9ccc%10c(c9)-c9ccccc9[Si]%10(c9ccccc9)c9ccccc9)cc8)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc9c(c8)-c8ccccc8[Si]9(c8ccccc8)c8ccccc8)nc7c6n5)cc4)ccc32)cc1
InChIInChI=1S/C72H48N2Si2.C66H44N2Si2.C54H44N2Si2/c1-5-17-57(18-6-1)75(58-19-7-2-8-20-58)67-27-15-13-25-61(67)63-47-55(41-45-69(63)75)49-29-33-51(34-30-49)65-43-39-53-37-38-54-40-44-66(74-72(54)71(53)73-65)52-35-31-50(32-36-52)56-42-46-70-64(48-56)62-26-14-16-28-68(62)76(70,59-21-9-3-10-22-59)60-23-11-4-12-24-60;1-5-17-51(18-6-1)69(52-19-7-2-8-20-52)61-27-15-13-25-55(61)57-43-49(37-41-63(57)69)45-29-31-46(32-30-45)59-39-35-47-33-34-48-36-40-60(68-66(48)65(47)67-59)50-38-42-64-58(44-50)56-26-14-16-28-62(56)70(64,53-21-9-3-10-22-53)54-23-11-4-12-24-54;1-33-29-47(37-19-15-35(16-20-37)39-23-27-51-45(31-39)43-11-7-9-13-49(43)57(51,3)4)55-53-41(33)25-26-42-34(2)30-48(56-54(42)53)38-21-17-36(18-22-38)40-24-28-52-46(32-40)44-12-8-10-14-50(44)58(52,5)6/h1-48H;1-44H;7-32H,1-6H3
InChIKeyGBEFGVKNXGCRGS-UHFFFAOYSA-N
XLogP34.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002695.76
LogP ≤ 534.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline
CID 90050169
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
2-(4-dibenzothiophen-2-ylphenyl)-9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-1,10-phenanthroline
CID 90050302
2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
CID 160617042
[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane
CID 140719840
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
4-ethyl-9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline;4-methyl-9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 159181351
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 160731038
9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline
CID 160595212
18,21,24-trimethyl-2',7'-diphenylspiro[31,34,35,38-tetrazanonacyclo[20.8.4.411,20.22,5.27,10.025,33.028,32.014,37.017,36]dotetraconta-1(31),2(42),3,5(41),7,9,11(38),12,14(37),15,17(36),18,20(35),22(34),23,25(33),26,28(32),29,39-icosaene-6,9'-fluorene]
CID 71052451

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline (CID 158203104) is 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline is Cc1cc(-c2ccc(-c3ccc4c(c3)-c3ccccc3[Si]4(C)C)cc2)nc2c1ccc1c(C)cc(-c3ccc(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)cc3)nc12.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9ccc%10c(c9)-c9ccccc9[Si]%10(c9ccccc9)c9ccccc9)cc8)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc9c(c8)-c8ccccc8[Si]9(c8ccccc8)c8ccccc8)nc7c6n5)cc4)ccc32)cc1.
What is the InChIKey of 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is GBEFGVKNXGCRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2Si2.C66H44N2Si2.C54H44N2Si2/c1-5-17-57(18-6-1)75(58-19-7-2-8-20-58)67-27-15-13-25-61(67)63-47-55(41-45-69(63)75)49-29-33-51(34-30-49)65-43-39-53-37-38-54-40-44-66(74-72(54)71(53)73-65)52-35-31-50(32-36-52)56-42-46-70-64(48-56)62-26-14-16-28-68(62)76(70,59-21-9-3-10-22-59)60-23-11-4-12-24-60;1-5-17-51(18-6-1)69(52-19-7-2-8-20-52)61-27-15-13-25-55(61)57-43-49(37-41-63(57)69)45-29-31-46(32-30-45)59-39-35-47-33-34-48-36-40-60(68-66(48)65(47)67-59)50-38-42-64-58(44-50)56-26-14-16-28-62(56)70(64,53-21-9-3-10-22-53)54-23-11-4-12-24-54;1-33-29-47(37-19-15-35(16-20-37)39-23-27-51-45(31-39)43-11-7-9-13-49(43)57(51,3)4)55-53-41(33)25-26-42-34(2)30-48(56-54(42)53)38-21-17-36(18-22-38)40-24-28-52-46(32-40)44-12-8-10-14-50(44)58(52,5)6/h1-48H;1-44H;7-32H,1-6H3.
What are the key properties of 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline?
2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 2695.76 g/mol, XLogP of 34.34, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline;2,9-bis[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 158203104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).