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

C54H46Si — CID 91160641

IUPAC10,10-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
SMILESCCC(C)C(C)c1cccc2c(-c3c4ccc(-c5ccccc5)cc4c(-c4cccc5ccccc45)c4cc5c(cc34)-c3ccccc3[Si]5(C)C)cccc12
InChIInChI=1S/C54H46Si/c1-6-34(2)35(3)39-23-15-25-42-41(39)24-16-27-45(42)53-46-30-29-38(36-17-8-7-9-18-36)31-48(46)54(44-26-14-20-37-19-10-11-21-40(37)44)50-33-52-47(32-49(50)53)43-22-12-13-28-51(43)55(52,4)5/h7-35H,6H2,1-5H3
InChIKeyHDKVPAZUZRWBTR-UHFFFAOYSA-N
MW723.05 g/mol
LogP14.25
Rot. Bonds6

About 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

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 (PubChem CID 91160641) has the molecular formula C54H46Si and a molecular weight of 723.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10-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
PubChem CID91160641
Molecular FormulaC54H46Si
Molecular Weight723.05 g/mol
Exact Mass722.34
IUPAC Name10,10-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
SMILESCCC(C)C(C)c1cccc2c(-c3c4ccc(-c5ccccc5)cc4c(-c4cccc5ccccc45)c4cc5c(cc34)-c3ccccc3[Si]5(C)C)cccc12
InChIInChI=1S/C54H46Si/c1-6-34(2)35(3)39-23-15-25-42-41(39)24-16-27-45(42)53-46-30-29-38(36-17-8-7-9-18-36)31-48(46)54(44-26-14-20-37-19-10-11-21-40(37)44)50-33-52-47(32-49(50)53)43-22-12-13-28-51(43)55(52,4)5/h7-35H,6H2,1-5H3
InChIKeyHDKVPAZUZRWBTR-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.05
LogP ≤ 514.25
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 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 with MolForge

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Related Compounds

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
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-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-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
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
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
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)C(C)c1cccc2c(-c3c4ccc(-c5ccccc5)cc4c(-c4cccc5ccccc45)c4cc5c(cc34)-c3ccccc3[Si]5(C)C)cccc12.
What is the InChIKey of 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?
The InChIKey is HDKVPAZUZRWBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46Si/c1-6-34(2)35(3)39-23-15-25-42-41(39)24-16-27-45(42)53-46-30-29-38(36-17-8-7-9-18-36)31-48(46)54(44-26-14-20-37-19-10-11-21-40(37)44)50-33-52-47(32-49(50)53)43-22-12-13-28-51(43)55(52,4)5/h7-35H,6H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 723.05 g/mol, XLogP of 14.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91160641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).