7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]

C29H19NSi — CID 59661586

IUPAC7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
SMILESc1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2cccnc2-3)cc1
InChIInChI=1S/C29H19NSi/c1-2-9-20(10-3-1)21-16-17-24-28(19-21)31(27-15-8-18-30-29(24)27)25-13-6-4-11-22(25)23-12-5-7-14-26(23)31/h1-19H
InChIKeyFVWPQTDYHQCQDX-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.09
Rot. Bonds1

About 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]

7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole] (PubChem CID 59661586) has the molecular formula C29H19NSi and a molecular weight of 409.56 g/mol. Its IUPAC name is 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole].

Molecular Properties

Compound Name7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
PubChem CID59661586
Molecular FormulaC29H19NSi
Molecular Weight409.56 g/mol
Exact Mass409.13
IUPAC Name7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
SMILESc1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2cccnc2-3)cc1
InChIInChI=1S/C29H19NSi/c1-2-9-20(10-3-1)21-16-17-24-28(19-21)31(27-15-8-18-30-29(24)27)25-13-6-4-11-22(25)23-12-5-7-14-26(23)31/h1-19H
InChIKeyFVWPQTDYHQCQDX-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616
7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403
3,3',7,7'-tetrakis(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]
CID 20710018
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
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262163
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
2-[4-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787337
4-phenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
CID 160536417
spiro[6,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,5'-benzo[b][1]benzosilole]
CID 20810990
4,6-diphenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
CID 160536418
9',9'-dimethyl-10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177277982
3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole
CID 155787174

Frequently Asked Questions

What is the IUPAC name of 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]?
The IUPAC name of 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole] (CID 59661586) is 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole].
What is the SMILES notation for 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]?
The canonical SMILES for 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole] is c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2cccnc2-3)cc1.
What is the InChIKey of 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]?
The InChIKey is FVWPQTDYHQCQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NSi/c1-2-9-20(10-3-1)21-16-17-24-28(19-21)31(27-15-8-18-30-29(24)27)25-13-6-4-11-22(25)23-12-5-7-14-26(23)31/h1-19H.
What are the key properties of 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]?
7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole] has a molecular weight of 409.56 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 59661586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).