bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])

C176H120Si6 — CID 157380469

IUPACbis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c1ccc1ccccc21.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/2C32H22Si.2C28H18Si.2C28H20Si/c2*1-3-13-23(14-4-1)33(24-15-5-2-6-16-24)30-22-12-11-21-29(30)31-27-19-9-7-17-25(27)26-18-8-10-20-28(26)32(31)33;2*1-2-10-20-19(9-1)17-18-27-28(20)23-13-5-8-16-26(23)29(27)24-14-6-3-11-21(24)22-12-4-7-15-25(22)29;2*1-3-12-22(13-4-1)29(23-14-5-2-6-15-23)26-18-10-9-17-25(26)28-24-16-8-7-11-21(24)19-20-27(28)29/h2*1-22H;2*1-18H;2*1-20H
InChIKeyBKVAVVANJBLJOX-UHFFFAOYSA-N
MW2403.41 g/mol
LogP27.45
Rot. Bonds8

About bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])

bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]) (PubChem CID 157380469) has the molecular formula C176H120Si6 and a molecular weight of 2403.41 g/mol. Its IUPAC name is bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]).

Molecular Properties

Compound Namebis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])
PubChem CID157380469
Molecular FormulaC176H120Si6
Molecular Weight2403.41 g/mol
Exact Mass2400.80
IUPAC Namebis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c1ccc1ccccc21.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/2C32H22Si.2C28H18Si.2C28H20Si/c2*1-3-13-23(14-4-1)33(24-15-5-2-6-16-24)30-22-12-11-21-29(30)31-27-19-9-7-17-25(27)26-18-8-10-20-28(26)32(31)33;2*1-2-10-20-19(9-1)17-18-27-28(20)23-13-5-8-16-26(23)29(27)24-14-6-3-11-21(24)22-12-4-7-15-25(22)29;2*1-3-12-22(13-4-1)29(23-14-5-2-6-15-23)26-18-10-9-17-25(26)28-24-16-8-7-11-21(24)19-20-27(28)29/h2*1-22H;2*1-18H;2*1-20H
InChIKeyBKVAVVANJBLJOX-UHFFFAOYSA-N
XLogP27.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002403.41
LogP ≤ 527.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]) with MolForge

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Related Compounds

dodecakis(2,2-dimethylpropane);5,5-diphenylbenzo[b][1]benzosilole;5,5-diphenylnaphtho[2,3-b][1]benzosilole;7,7-diphenylnaphtho[2,1-b][1]benzosilole;11,11-diphenylnaphtho[1,2-b][1]benzosilole;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 165065368
7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
CID 153488383
18-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 153488322
14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 140775274
1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488393
5-(3-methylphenyl)-5-phenylanthra[2,1-b][1]benzosilole
CID 153488378
17-methyl-9,9-diphenyl-9-silapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 153488377
4-[8-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-10-(4,5-dinaphthalen-2-ylanthracen-9-yl)anthracen-1-yl]-5,5-dimethylbenzo[b][1]benzosilole;1-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole;4-[10-(4,5-dinaphthalen-2-ylanthracen-9-yl)-8-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)anthracen-1-yl]-5,5-diphenylbenzo[b][1]benzosilole
CID 158013730
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 59718161
3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
CID 176862836
6-methyl-12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 153488316
9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488459

Frequently Asked Questions

What is the IUPAC name of bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])?
The IUPAC name of bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]) (CID 157380469) is bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]).
What is the SMILES notation for bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])?
The canonical SMILES for bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]) is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c1ccc1ccccc21.c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])?
The InChIKey is BKVAVVANJBLJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H22Si.2C28H18Si.2C28H20Si/c2*1-3-13-23(14-4-1)33(24-15-5-2-6-16-24)30-22-12-11-21-29(30)31-27-19-9-7-17-25(27)26-18-8-10-20-28(26)32(31)33;2*1-2-10-20-19(9-1)17-18-27-28(20)23-13-5-8-16-26(23)29(27)24-14-6-3-11-21(24)22-12-4-7-15-25(22)29;2*1-3-12-22(13-4-1)29(23-14-5-2-6-15-23)26-18-10-9-17-25(26)28-24-16-8-7-11-21(24)19-20-27(28)29/h2*1-22H;2*1-18H;2*1-20H.
What are the key properties of bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])?
bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]) has a molecular weight of 2403.41 g/mol, XLogP of 27.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]) is sourced from PubChem (CID 157380469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).