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

C54H38Si — CID 173480975

IUPAC10,10-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
SMILESC[Si]1(C)c2ccccc2-c2cc3c(-c4cccc(-c5ccccc5)c4)c4ccc(-c5ccc6ccccc6c5)cc4c(-c4cccc5ccccc45)c3cc21
InChIInChI=1S/C54H38Si/c1-55(2)51-25-11-10-23-44(51)47-33-49-50(34-52(47)55)54(45-24-13-19-37-17-8-9-22-43(37)45)48-32-41(40-27-26-36-16-6-7-18-38(36)30-40)28-29-46(48)53(49)42-21-12-20-39(31-42)35-14-4-3-5-15-35/h3-34H,1-2H3
InChIKeyJHHUXBYGRJIBRL-UHFFFAOYSA-N
MW714.98 g/mol
LogP13.77
Rot. Bonds4

About 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

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 (PubChem CID 173480975) 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-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.

Molecular Properties

Compound Name10,10-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
PubChem CID173480975
Molecular FormulaC54H38Si
Molecular Weight714.98 g/mol
Exact Mass714.27
IUPAC Name10,10-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
SMILESC[Si]1(C)c2ccccc2-c2cc3c(-c4cccc(-c5ccccc5)c4)c4ccc(-c5ccc6ccccc6c5)cc4c(-c4cccc5ccccc45)c3cc21
InChIInChI=1S/C54H38Si/c1-55(2)51-25-11-10-23-44(51)47-33-49-50(34-52(47)55)54(45-24-13-19-37-17-8-9-22-43(37)45)48-32-41(40-27-26-36-16-6-7-18-38(36)30-40)28-29-46(48)53(49)42-21-12-20-39(31-42)35-14-4-3-5-15-35/h3-34H,1-2H3
InChIKeyJHHUXBYGRJIBRL-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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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-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
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
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-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccccc2-c2cc3c(-c4cccc(-c5ccccc5)c4)c4ccc(-c5ccc6ccccc6c5)cc4c(-c4cccc5ccccc45)c3cc21.
What is the InChIKey of 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?
The InChIKey is JHHUXBYGRJIBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38Si/c1-55(2)51-25-11-10-23-44(51)47-33-49-50(34-52(47)55)54(45-24-13-19-37-17-8-9-22-43(37)45)48-32-41(40-27-26-36-16-6-7-18-38(36)30-40)28-29-46(48)53(49)42-21-12-20-39(31-42)35-14-4-3-5-15-35/h3-34H,1-2H3.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 173480975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).