14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

C50H38Si — CID 91355521

IUPAC14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
SMILESC[Si]1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(C4=C5C=CC=CC5CC=C4)c3cc21
InChIInChI=1S/C50H38Si/c1-51(2)47-30-38(34-16-7-4-8-17-34)28-29-40(47)44-31-45-46(32-48(44)51)50(41-23-13-19-36-18-9-10-20-39(36)41)43-22-12-11-21-42(43)49(45)37-26-24-35(25-27-37)33-14-5-3-6-15-33/h3-18,20-32,36H,19H2,1-2H3
InChIKeyRNWAPGNNGPKNBQ-UHFFFAOYSA-N
MW666.94 g/mol
LogP12.25
Rot. Bonds4

About 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (PubChem CID 91355521) has the molecular formula C50H38Si and a molecular weight of 666.94 g/mol. Its IUPAC name is 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

Molecular Properties

Compound Name14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
PubChem CID91355521
Molecular FormulaC50H38Si
Molecular Weight666.94 g/mol
Exact Mass666.27
IUPAC Name14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
SMILESC[Si]1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(C4=C5C=CC=CC5CC=C4)c3cc21
InChIInChI=1S/C50H38Si/c1-51(2)47-30-38(34-16-7-4-8-17-34)28-29-40(47)44-31-45-46(32-48(44)51)50(41-23-13-19-36-18-9-10-20-39(36)41)43-22-12-11-21-42(43)49(45)37-26-24-35(25-27-37)33-14-5-3-6-15-33/h3-18,20-32,36H,19H2,1-2H3
InChIKeyRNWAPGNNGPKNBQ-UHFFFAOYSA-N
XLogP12.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.94
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene with MolForge

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Related Compounds

10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 161176690
9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143254486
10,10-dimethyl-21-naphthalen-1-yl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 173480620
21-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 173481002
10,10-dimethyl-14-naphthalen-1-yl-21-phenanthren-9-yl-7-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 91257294
10,10-dimethyl-17-naphthalen-1-yl-14-phenyl-21-(3-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 173480986
10,10-dimethyl-17-naphthalen-2-yl-14-phenyl-21-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 173480593
10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene
CID 91257303
10,10-dimethyl-14-naphthalen-1-yl-17-naphthalen-2-yl-21-(3-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 173480975
14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 173480984
17-(9,9-dimethylfluoren-2-yl)-7,10,10-trimethyl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene
CID 91501056
10,10-dimethyl-14,21-dinaphthalen-2-yl-17-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175443

Frequently Asked Questions

What is the IUPAC name of 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
The IUPAC name of 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (CID 91355521) is 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.
What is the SMILES notation for 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
The canonical SMILES for 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is C[Si]1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(C4=C5C=CC=CC5CC=C4)c3cc21.
What is the InChIKey of 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
The InChIKey is RNWAPGNNGPKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38Si/c1-51(2)47-30-38(34-16-7-4-8-17-34)28-29-40(47)44-31-45-46(32-48(44)51)50(41-23-13-19-36-18-9-10-20-39(36)41)43-22-12-11-21-42(43)49(45)37-26-24-35(25-27-37)33-14-5-3-6-15-33/h3-18,20-32,36H,19H2,1-2H3.
What are the key properties of 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?
14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene has a molecular weight of 666.94 g/mol, XLogP of 12.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is sourced from PubChem (CID 91355521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).