10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C51H40Si — CID 91149223

IUPAC10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCC1C(c2ccccc2)=CC(c2ccccc2)=CC1c1c2ccccc2c(-c2ccc3ccccc3c2)c2cc3c(cc12)-c1ccccc1[Si]3(C)C
InChIInChI=1S/C51H40Si/c1-33-43(36-19-8-5-9-20-36)29-39(34-16-6-4-7-17-34)30-44(33)51-42-24-13-12-23-41(42)50(38-27-26-35-18-10-11-21-37(35)28-38)47-32-49-45(31-46(47)51)40-22-14-15-25-48(40)52(49,2)3/h4-33,44H,1-3H3
InChIKeyXPGPOGKVAIDQJS-UHFFFAOYSA-N
MW680.97 g/mol
LogP12.52
Rot. Bonds4

About 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 91149223) has the molecular formula C51H40Si and a molecular weight of 680.97 g/mol. Its IUPAC name is 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

Compound Name10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
PubChem CID91149223
Molecular FormulaC51H40Si
Molecular Weight680.97 g/mol
Exact Mass680.29
IUPAC Name10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCC1C(c2ccccc2)=CC(c2ccccc2)=CC1c1c2ccccc2c(-c2ccc3ccccc3c2)c2cc3c(cc12)-c1ccccc1[Si]3(C)C
InChIInChI=1S/C51H40Si/c1-33-43(36-19-8-5-9-20-36)29-39(34-16-6-4-7-17-34)30-44(33)51-42-24-13-12-23-41(42)50(38-27-26-35-18-10-11-21-37(35)28-38)47-32-49-45(31-46(47)51)40-22-14-15-25-48(40)52(49,2)3/h4-33,44H,1-3H3
InChIKeyXPGPOGKVAIDQJS-UHFFFAOYSA-N
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.97
LogP ≤ 512.52
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-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene with MolForge

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Related Compounds

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
10,10-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-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-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
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(4-naphthalen-2-ylphenyl)-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 58175541
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59195552
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-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
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
10,10-dimethyl-14,21-di(spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl)-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 91328172

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The IUPAC name of 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-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 91149223) is 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.
What is the SMILES notation for 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The canonical SMILES for 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is CC1C(c2ccccc2)=CC(c2ccccc2)=CC1c1c2ccccc2c(-c2ccc3ccccc3c2)c2cc3c(cc12)-c1ccccc1[Si]3(C)C.
What is the InChIKey of 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The InChIKey is XPGPOGKVAIDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40Si/c1-33-43(36-19-8-5-9-20-36)29-39(34-16-6-4-7-17-34)30-44(33)51-42-24-13-12-23-41(42)50(38-27-26-35-18-10-11-21-37(35)28-38)47-32-49-45(31-46(47)51)40-22-14-15-25-48(40)52(49,2)3/h4-33,44H,1-3H3.
What are the key properties of 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 680.97 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-21-(6-methyl-3,5-diphenylcyclohexa-2,4-dien-1-yl)-14-naphthalen-2-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 91149223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).