3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline

C45H39NSi — CID 59194861

IUPAC3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
SMILESCc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3[Si]4(C)C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C45H39NSi/c1-28-19-22-35-36(25-28)44(29-20-23-32-31-13-9-10-16-37(31)45(2,3)38(32)26-29)34-15-8-7-14-33(34)43(35)30-21-24-42-40(27-30)46(4)39-17-11-12-18-41(39)47(42,5)6/h7-27H,1-6H3
InChIKeyDMCRSXMTCHSXJV-UHFFFAOYSA-N
MW621.90 g/mol
LogP10.85
Rot. Bonds2

About 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline

3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline (PubChem CID 59194861) has the molecular formula C45H39NSi and a molecular weight of 621.90 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
PubChem CID59194861
Molecular FormulaC45H39NSi
Molecular Weight621.90 g/mol
Exact Mass621.29
IUPAC Name3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
SMILESCc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3[Si]4(C)C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C45H39NSi/c1-28-19-22-35-36(25-28)44(29-20-23-32-31-13-9-10-16-37(31)45(2,3)38(32)26-29)34-15-8-7-14-33(34)43(35)30-21-24-42-40(27-30)46(4)39-17-11-12-18-41(39)47(42,5)6/h7-27H,1-6H3
InChIKeyDMCRSXMTCHSXJV-UHFFFAOYSA-N
XLogP10.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.90
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194817
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59219940
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220433
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
CID 59195073
14-(9,9-dimethylfluoren-2-yl)-6,10,10-trimethyl-21-naphthalen-1-yl-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 91068010
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-5-methylspiro[benzo[b][1,4]benzazasiline-10,1'-silolane];2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-1-phenylbenzimidazole
CID 159414502
8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole
CID 173480612
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine
CID 159013709

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline (CID 59194861) is 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline is Cc1ccc2c(-c3ccc4c(c3)N(C)c3ccccc3[Si]4(C)C)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
The InChIKey is DMCRSXMTCHSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39NSi/c1-28-19-22-35-36(25-28)44(29-20-23-32-31-13-9-10-16-37(31)45(2,3)38(32)26-29)34-15-8-7-14-33(34)43(35)30-21-24-42-40(27-30)46(4)39-17-11-12-18-41(39)47(42,5)6/h7-27H,1-6H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline?
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline has a molecular weight of 621.90 g/mol, XLogP of 10.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 59194861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).