5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene

C32H23NSi — CID 147473216

IUPAC5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
SMILESCc1ccc2c3c(c4ccccc4c2c1)-c1ccncc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H23NSi/c1-22-16-17-27-29(20-22)25-14-8-9-15-26(25)31-28-18-19-33-21-30(28)34(32(27)31,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-21H,1H3
InChIKeyFCELHLKOVSJTFO-UHFFFAOYSA-N
MW449.63 g/mol
LogP5.05
Rot. Bonds2

About 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene

5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene (PubChem CID 147473216) has the molecular formula C32H23NSi and a molecular weight of 449.63 g/mol. Its IUPAC name is 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
PubChem CID147473216
Molecular FormulaC32H23NSi
Molecular Weight449.63 g/mol
Exact Mass449.16
IUPAC Name5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
SMILESCc1ccc2c3c(c4ccccc4c2c1)-c1ccncc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H23NSi/c1-22-16-17-27-29(20-22)25-14-8-9-15-26(25)31-28-18-19-33-21-30(28)34(32(27)31,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-21H,1H3
InChIKeyFCELHLKOVSJTFO-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.63
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 152972287
5-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene
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2,7-dimethyltriphenylene
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2,9,10-trimethylphenanthrene
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ethane;2-methyltriphenylene
CID 91569125
bis(7,7-diphenylnaphtho[2,1-b][1]benzosilole);bis(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);bis(spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole])
CID 157380469
3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
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1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488393
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
The IUPAC name of 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene (CID 147473216) is 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene is Cc1ccc2c3c(c4ccccc4c2c1)-c1ccncc1[Si]3(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
The InChIKey is FCELHLKOVSJTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NSi/c1-22-16-17-27-29(20-22)25-14-8-9-15-26(25)31-28-18-19-33-21-30(28)34(32(27)31,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-21H,1H3.
What are the key properties of 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene has a molecular weight of 449.63 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-21,21-diphenyl-18-aza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 147473216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).