8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]

C38H24N4Si — CID 162503288

IUPAC8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]
SMILESc1ccc2c(c1)-c1nc3ccccc3n1-c1ccccc1[Si]21c2ccccc2-c2nc3ccccc3n2-c2ccccc21
InChIInChI=1S/C38H24N4Si/c1-9-21-33-25(13-1)37-39-27-15-3-5-17-29(27)41(37)31-19-7-11-23-35(31)43(33)34-22-10-2-14-26(34)38-40-28-16-4-6-18-30(28)42(38)32-20-8-12-24-36(32)43/h1-24H
InChIKeyZTYJMTQANCKBGN-UHFFFAOYSA-N
MW564.72 g/mol
LogP5.70
Rot. Bonds

About 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]

8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene] (PubChem CID 162503288) has the molecular formula C38H24N4Si and a molecular weight of 564.72 g/mol. Its IUPAC name is 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene].

Molecular Properties

Compound Name8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]
PubChem CID162503288
Molecular FormulaC38H24N4Si
Molecular Weight564.72 g/mol
Exact Mass564.18
IUPAC Name8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]
SMILESc1ccc2c(c1)-c1nc3ccccc3n1-c1ccccc1[Si]21c2ccccc2-c2nc3ccccc3n2-c2ccccc21
InChIInChI=1S/C38H24N4Si/c1-9-21-33-25(13-1)37-39-27-15-3-5-17-29(27)41(37)31-19-7-11-23-35(31)43(33)34-22-10-2-14-26(34)38-40-28-16-4-6-18-30(28)42(38)32-20-8-12-24-36(32)43/h1-24H
InChIKeyZTYJMTQANCKBGN-UHFFFAOYSA-N
XLogP5.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.72
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene] with MolForge

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Related Compounds

8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene
CID 118363229
2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole
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lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
CID 57424050
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-[2-[4-phenyl-6-[2-[2-(2-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(2-propan-2-ylphenyl)benzimidazole
CID 155185803
8-phenyl-9-oxa-16,23-diaza-8-borapentacyclo[14.7.0.02,7.010,15.017,22]tricosa-1(23),2,4,6,10,12,14,17,19,21-decaene
CID 176803347
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071

Frequently Asked Questions

What is the IUPAC name of 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]?
The IUPAC name of 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene] (CID 162503288) is 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene].
What is the SMILES notation for 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]?
The canonical SMILES for 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene] is c1ccc2c(c1)-c1nc3ccccc3n1-c1ccccc1[Si]21c2ccccc2-c2nc3ccccc3n2-c2ccccc21.
What is the InChIKey of 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]?
The InChIKey is ZTYJMTQANCKBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4Si/c1-9-21-33-25(13-1)37-39-27-15-3-5-17-29(27)41(37)31-19-7-11-23-35(31)43(33)34-22-10-2-14-26(34)38-40-28-16-4-6-18-30(28)42(38)32-20-8-12-24-36(32)43/h1-24H.
What are the key properties of 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]?
8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene] has a molecular weight of 564.72 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene] is sourced from PubChem (CID 162503288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).