10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C54H38Si — CID 91239969

IUPAC10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESC[Si]1(C)c2ccccc2-c2cc3c(-c4cc5ccccc5cc4-c4ccccc4)c4ccc(-c5ccccc5)cc4c(-c4cccc5ccccc45)c3cc21
InChIInChI=1S/C54H38Si/c1-55(2)51-27-14-13-25-42(51)46-33-49-50(34-52(46)55)53(43-26-15-23-36-20-11-12-24-41(36)43)47-32-40(35-16-5-3-6-17-35)28-29-44(47)54(49)48-31-39-22-10-9-21-38(39)30-45(48)37-18-7-4-8-19-37/h3-34H,1-2H3
InChIKeyLVRRZMCOVKDNKL-UHFFFAOYSA-N
MW714.98 g/mol
LogP13.77
Rot. Bonds4

About 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 91239969) has the molecular formula C54H38Si and a molecular weight of 714.98 g/mol. Its IUPAC name is 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID91239969
Molecular FormulaC54H38Si
Molecular Weight714.98 g/mol
Exact Mass714.27
IUPAC Name10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESC[Si]1(C)c2ccccc2-c2cc3c(-c4cc5ccccc5cc4-c4ccccc4)c4ccc(-c5ccccc5)cc4c(-c4cccc5ccccc45)c3cc21
InChIInChI=1S/C54H38Si/c1-55(2)51-27-14-13-25-42(51)46-33-49-50(34-52(46)55)53(43-26-15-23-36-20-11-12-24-41(36)43)47-32-40(35-16-5-3-6-17-35)28-29-44(47)54(49)48-31-39-22-10-9-21-38(39)30-45(48)37-18-7-4-8-19-37/h3-34H,1-2H3
InChIKeyLVRRZMCOVKDNKL-UHFFFAOYSA-N
XLogP13.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.98
LogP ≤ 513.77
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 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

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
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-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
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-21-[5-(3-methylpentan-2-yl)naphthalen-1-yl]-14-naphthalen-1-yl-17-phenyl-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 91160641
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-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
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-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 91239969) is 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is C[Si]1(C)c2ccccc2-c2cc3c(-c4cc5ccccc5cc4-c4ccccc4)c4ccc(-c5ccccc5)cc4c(-c4cccc5ccccc45)c3cc21.
What is the InChIKey of 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is LVRRZMCOVKDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38Si/c1-55(2)51-27-14-13-25-42(51)46-33-49-50(34-52(46)55)53(43-26-15-23-36-20-11-12-24-41(36)43)47-32-40(35-16-5-3-6-17-35)28-29-44(47)54(49)48-31-39-22-10-9-21-38(39)30-45(48)37-18-7-4-8-19-37/h3-34H,1-2H3.
What are the key properties of 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 714.98 g/mol, XLogP of 13.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-14-naphthalen-1-yl-17-phenyl-21-(3-phenylnaphthalen-2-yl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 91239969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).