1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]

C34H26N6Si — CID 58249940

IUPAC1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]
SMILESc1ccc(N2c3ccncc3N(c3ccccc3)[Si]23N(c2ccccc2)c2ccncc2N3c2ccccc2)cc1
InChIInChI=1S/C34H26N6Si/c1-5-13-27(14-6-1)37-31-21-23-35-25-33(31)39(29-17-9-3-10-18-29)41(37)38(28-15-7-2-8-16-28)32-22-24-36-26-34(32)40(41)30-19-11-4-12-20-30/h1-26H
InChIKeyHCOAHDUVFFVCCF-UHFFFAOYSA-N
MW546.71 g/mol
LogP8.19
Rot. Bonds4

About 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]

1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine] (PubChem CID 58249940) has the molecular formula C34H26N6Si and a molecular weight of 546.71 g/mol. Its IUPAC name is 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine].

Molecular Properties

Compound Name1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]
PubChem CID58249940
Molecular FormulaC34H26N6Si
Molecular Weight546.71 g/mol
Exact Mass546.20
IUPAC Name1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]
SMILESc1ccc(N2c3ccncc3N(c3ccccc3)[Si]23N(c2ccccc2)c2ccncc2N3c2ccccc2)cc1
InChIInChI=1S/C34H26N6Si/c1-5-13-27(14-6-1)37-31-21-23-35-25-33(31)39(29-17-9-3-10-18-29)41(37)38(28-15-7-2-8-16-28)32-22-24-36-26-34(32)40(41)30-19-11-4-12-20-30/h1-26H
InChIKeyHCOAHDUVFFVCCF-UHFFFAOYSA-N
XLogP8.19
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]?
The IUPAC name of 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine] (CID 58249940) is 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine].
What is the SMILES notation for 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]?
The canonical SMILES for 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine] is c1ccc(N2c3ccncc3N(c3ccccc3)[Si]23N(c2ccccc2)c2ccncc2N3c2ccccc2)cc1.
What is the InChIKey of 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]?
The InChIKey is HCOAHDUVFFVCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N6Si/c1-5-13-27(14-6-1)37-31-21-23-35-25-33(31)39(29-17-9-3-10-18-29)41(37)38(28-15-7-2-8-16-28)32-22-24-36-26-34(32)40(41)30-19-11-4-12-20-30/h1-26H.
What are the key properties of 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]?
1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine] has a molecular weight of 546.71 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine] is sourced from PubChem (CID 58249940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).