N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine

C52H43NSi — CID 174150949

IUPACN-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
SMILESC=CC1=C(/C=C\C)c2ccccc2C1(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2[Si]3(C)C)cc1
InChIInChI=1S/C52H43NSi/c1-5-17-44-45-22-13-15-24-49(45)52(48(44)6-2,39-20-11-8-12-21-39)40-28-32-42(33-29-40)53(41-30-26-38(27-31-41)37-18-9-7-10-19-37)43-34-35-51-47(36-43)46-23-14-16-25-50(46)54(51,3)4/h5-36H,2H2,1,3-4H3/b17-5-
InChIKeyIJJGHUJAFSGUFZ-ZWSORDCHSA-N
MW710.01 g/mol
LogP12.49
Rot. Bonds8

About N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine

N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine (PubChem CID 174150949) has the molecular formula C52H43NSi and a molecular weight of 710.01 g/mol. Its IUPAC name is N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine.

Molecular Properties

Compound NameN-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
PubChem CID174150949
Molecular FormulaC52H43NSi
Molecular Weight710.01 g/mol
Exact Mass709.32
IUPAC NameN-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
SMILESC=CC1=C(/C=C\C)c2ccccc2C1(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2[Si]3(C)C)cc1
InChIInChI=1S/C52H43NSi/c1-5-17-44-45-22-13-15-24-49(45)52(48(44)6-2,39-20-11-8-12-21-39)40-28-32-42(33-29-40)53(41-30-26-38(27-31-41)37-18-9-7-10-19-37)43-34-35-51-47(36-43)46-23-14-16-25-50(46)54(51,3)4/h5-36H,2H2,1,3-4H3/b17-5-
InChIKeyIJJGHUJAFSGUFZ-ZWSORDCHSA-N
XLogP12.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.01
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522930
5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
CID 170522918
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 167024948
N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
CID 134491053
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
5,5-dimethyl-N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522931

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
The IUPAC name of N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine (CID 174150949) is N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine.
What is the SMILES notation for N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
The canonical SMILES for N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine is C=CC1=C(/C=C\C)c2ccccc2C1(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2[Si]3(C)C)cc1.
What is the InChIKey of N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
The InChIKey is IJJGHUJAFSGUFZ-ZWSORDCHSA-N. The full InChI is InChI=1S/C52H43NSi/c1-5-17-44-45-22-13-15-24-49(45)52(48(44)6-2,39-20-11-8-12-21-39)40-28-32-42(33-29-40)53(41-30-26-38(27-31-41)37-18-9-7-10-19-37)43-34-35-51-47(36-43)46-23-14-16-25-50(46)54(51,3)4/h5-36H,2H2,1,3-4H3/b17-5-.
What are the key properties of N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine?
N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine has a molecular weight of 710.01 g/mol, XLogP of 12.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine is sourced from PubChem (CID 174150949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).