5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole

C29H22Si — CID 153488427

IUPAC5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
SMILESCc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C29H22Si/c1-21-15-17-25(18-16-21)30(24-11-3-2-4-12-24)28-14-8-7-13-26(28)27-19-22-9-5-6-10-23(22)20-29(27)30/h2-20H,1H3
InChIKeyDBCQLCOXVRWERQ-UHFFFAOYSA-N
MW398.58 g/mol
LogP4.51
Rot. Bonds2

About 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole

5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole (PubChem CID 153488427) has the molecular formula C29H22Si and a molecular weight of 398.58 g/mol. Its IUPAC name is 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole.

Molecular Properties

Compound Name5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
PubChem CID153488427
Molecular FormulaC29H22Si
Molecular Weight398.58 g/mol
Exact Mass398.15
IUPAC Name5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
SMILESCc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C29H22Si/c1-21-15-17-25(18-16-21)30(24-11-3-2-4-12-24)28-14-8-7-13-26(28)27-19-22-9-5-6-10-23(22)20-29(27)30/h2-20H,1H3
InChIKeyDBCQLCOXVRWERQ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59167435
2-[4-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155787135
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
CID 140775315
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787204
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
18-methyl-10,10-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 153488342
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
N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 140719464
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
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787173
2,3,7,8-tetramethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59096237

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
The IUPAC name of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole (CID 153488427) is 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole.
What is the SMILES notation for 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
The canonical SMILES for 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole is Cc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
The InChIKey is DBCQLCOXVRWERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Si/c1-21-15-17-25(18-16-21)30(24-11-3-2-4-12-24)28-14-8-7-13-26(28)27-19-22-9-5-6-10-23(22)20-29(27)30/h2-20H,1H3.
What are the key properties of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole has a molecular weight of 398.58 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole is sourced from PubChem (CID 153488427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).