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

C50H42Si — CID 91501056

IUPAC17-(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
SMILESCC1C=CC2=C(C1)[Si](C)(C)c1cc3c(-c4ccccc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4c(-c4ccccc4)c3cc12
InChIInChI=1S/C50H42Si/c1-31-20-23-38-40-29-42-43(30-47(40)51(4,5)46(38)26-31)49(33-16-10-7-11-17-33)41-27-34(22-25-39(41)48(42)32-14-8-6-9-15-32)35-21-24-37-36-18-12-13-19-44(36)50(2,3)45(37)28-35/h6-25,27-31H,26H2,1-5H3
InChIKeyIBLPDOGXSZXVKY-UHFFFAOYSA-N
MW670.97 g/mol
LogP13.12
Rot. Bonds3

About 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

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 (PubChem CID 91501056) has the molecular formula C50H42Si and a molecular weight of 670.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-(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
PubChem CID91501056
Molecular FormulaC50H42Si
Molecular Weight670.97 g/mol
Exact Mass670.31
IUPAC Name17-(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
SMILESCC1C=CC2=C(C1)[Si](C)(C)c1cc3c(-c4ccccc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4c(-c4ccccc4)c3cc12
InChIInChI=1S/C50H42Si/c1-31-20-23-38-40-29-42-43(30-47(40)51(4,5)46(38)26-31)49(33-16-10-7-11-17-33)41-27-34(22-25-39(41)48(42)32-14-8-6-9-15-32)35-21-24-37-36-18-12-13-19-44(36)50(2,3)45(37)28-35/h6-25,27-31H,26H2,1-5H3
InChIKeyIBLPDOGXSZXVKY-UHFFFAOYSA-N
XLogP13.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.97
LogP ≤ 513.12
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 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 with MolForge

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Related Compounds

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
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-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 58175282
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
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
CID 153275967
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
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
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
10,10-dimethyl-17-perylen-3-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175515
9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene
CID 123895448

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=CC2=C(C1)[Si](C)(C)c1cc3c(-c4ccccc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4c(-c4ccccc4)c3cc12.
What is the InChIKey of 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?
The InChIKey is IBLPDOGXSZXVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42Si/c1-31-20-23-38-40-29-42-43(30-47(40)51(4,5)46(38)26-31)49(33-16-10-7-11-17-33)41-27-34(22-25-39(41)48(42)32-14-8-6-9-15-32)35-21-24-37-36-18-12-13-19-44(36)50(2,3)45(37)28-35/h6-25,27-31H,26H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 670.97 g/mol, XLogP of 13.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91501056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).