3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]

C36H24Si — CID 132533616

IUPAC3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
SMILESc1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C36H24Si/c1-3-11-25(12-4-1)27-19-21-31-29-15-7-9-17-33(29)37(35(31)23-27)34-18-10-8-16-30(34)32-22-20-28(24-36(32)37)26-13-5-2-6-14-26/h1-24H
InChIKeyXGZSQSFXZWVERQ-UHFFFAOYSA-N
MW484.67 g/mol
LogP6.36
Rot. Bonds2

About 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]

3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole] (PubChem CID 132533616) has the molecular formula C36H24Si and a molecular weight of 484.67 g/mol. Its IUPAC name is 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole].

Molecular Properties

Compound Name3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
PubChem CID132533616
Molecular FormulaC36H24Si
Molecular Weight484.67 g/mol
Exact Mass484.16
IUPAC Name3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
SMILESc1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C36H24Si/c1-3-11-25(12-4-1)27-19-21-31-29-15-7-9-17-33(29)37(35(31)23-27)34-18-10-8-16-30(34)32-22-20-28(24-36(32)37)26-13-5-2-6-14-26/h1-24H
InChIKeyXGZSQSFXZWVERQ-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.67
LogP ≤ 56.36
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

3,3',7,7'-tetrakis(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]
CID 20710018
7-phenylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661586
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
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-[4-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787337
3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole
CID 155787174
3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
CID 176862836
9',9'-dimethyl-10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177277982
N-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
CID 148832286
2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]
CID 177278308
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787215
3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
CID 176862837

Frequently Asked Questions

What is the IUPAC name of 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]?
The IUPAC name of 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole] (CID 132533616) is 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole].
What is the SMILES notation for 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]?
The canonical SMILES for 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole] is c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]?
The InChIKey is XGZSQSFXZWVERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Si/c1-3-11-25(12-4-1)27-19-21-31-29-15-7-9-17-33(29)37(35(31)23-27)34-18-10-8-16-30(34)32-22-20-28(24-36(32)37)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]?
3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole] has a molecular weight of 484.67 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole] is sourced from PubChem (CID 132533616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).