5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine

C46H37NOSi — CID 123369446

IUPAC5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)-c2c(ccc4c2Oc2ccccc2[Si]4(C)C)C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C46H37NOSi/c1-32-16-15-23-36(30-32)47(35-21-11-6-12-22-35)37-26-27-39-38(31-37)44-40(46(39,33-17-7-4-8-18-33)34-19-9-5-10-20-34)28-29-43-45(44)48-41-24-13-14-25-42(41)49(43,2)3/h4-31H,1-3H3
InChIKeyQIQOWPFEBYBVDX-UHFFFAOYSA-N
MW647.89 g/mol
LogP10.76
Rot. Bonds5

About 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine

5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine (PubChem CID 123369446) has the molecular formula C46H37NOSi and a molecular weight of 647.89 g/mol. Its IUPAC name is 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine
PubChem CID123369446
Molecular FormulaC46H37NOSi
Molecular Weight647.89 g/mol
Exact Mass647.26
IUPAC Name5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)-c2c(ccc4c2Oc2ccccc2[Si]4(C)C)C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C46H37NOSi/c1-32-16-15-23-36(30-32)47(35-21-11-6-12-22-35)37-26-27-39-38(31-37)44-40(46(39,33-17-7-4-8-18-33)34-19-9-5-10-20-34)28-29-43-45(44)48-41-24-13-14-25-42(41)49(43,2)3/h4-31H,1-3H3
InChIKeyQIQOWPFEBYBVDX-UHFFFAOYSA-N
XLogP10.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.89
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine
CID 123275102
N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-3-methyl-N-phenylaniline
CID 118405155
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine
CID 144907292
5,5,8,8-tetramethyl-N-(3-methylphenyl)-N-phenyl-6,7-dihydronaphthalen-2-amine
CID 142500873
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine
CID 171401609
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
CID 166012551
CID 166012551

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine?
The IUPAC name of 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine (CID 123369446) is 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine.
What is the SMILES notation for 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine?
The canonical SMILES for 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine is Cc1cccc(N(c2ccccc2)c2ccc3c(c2)-c2c(ccc4c2Oc2ccccc2[Si]4(C)C)C3(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine?
The InChIKey is QIQOWPFEBYBVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37NOSi/c1-32-16-15-23-36(30-32)47(35-21-11-6-12-22-35)37-26-27-39-38(31-37)44-40(46(39,33-17-7-4-8-18-33)34-19-9-5-10-20-34)28-29-43-45(44)48-41-24-13-14-25-42(41)49(43,2)3/h4-31H,1-3H3.
What are the key properties of 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine?
5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine has a molecular weight of 647.89 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine is sourced from PubChem (CID 123369446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).