5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine

C54H41NSi — CID 89074923

IUPAC5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H41NSi/c1-56(2)51-33-37(25-30-43(51)44-32-29-42(35-52(44)56)55(40-13-5-3-6-14-40)41-15-7-4-8-16-41)22-21-36-23-26-38(27-24-36)39-28-31-49-50(34-39)54-47-19-11-9-17-45(47)53(49)46-18-10-12-20-48(46)54/h3-35,53-54H,1-2H3/b22-21+
InChIKeyWNUZLTKWBGECMF-QURGRASLSA-N
MW732.02 g/mol
LogP12.78
Rot. Bonds6

About 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine

5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine (PubChem CID 89074923) has the molecular formula C54H41NSi and a molecular weight of 732.02 g/mol. Its IUPAC name is 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine
PubChem CID89074923
Molecular FormulaC54H41NSi
Molecular Weight732.02 g/mol
Exact Mass731.30
IUPAC Name5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H41NSi/c1-56(2)51-33-37(25-30-43(51)44-32-29-42(35-52(44)56)55(40-13-5-3-6-14-40)41-15-7-4-8-16-41)22-21-36-23-26-38(27-24-36)39-28-31-49-50(34-39)54-47-19-11-9-17-45(47)53(49)46-18-10-12-20-48(46)54/h3-35,53-54H,1-2H3/b22-21+
InChIKeyWNUZLTKWBGECMF-QURGRASLSA-N
XLogP12.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.02
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine with MolForge

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Related Compounds

9-methyl-7-[2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenyl-9H-fluoren-2-amine
CID 91499198
4-[5,5-dimethyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-dimethyl-7-N-phenyl-3-N,3-N-bis(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilole-3,7-diamine;3-N,3-N,7-N,7-N,5,5-hexakis-phenylbenzo[b][1]benzosilole-3,7-diamine;3-N,7-N,5,5-tetraphenyl-3-N,7-N-bis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 157189815
N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 161337171
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
8,8-dimethyl-5-N,14-N-diphenyl-5-N,14-N-bis(4-phenylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 140757142
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine
CID 162504511
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine?
The IUPAC name of 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine (CID 89074923) is 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine.
What is the SMILES notation for 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine?
The canonical SMILES for 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine is C[Si]1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine?
The InChIKey is WNUZLTKWBGECMF-QURGRASLSA-N. The full InChI is InChI=1S/C54H41NSi/c1-56(2)51-33-37(25-30-43(51)44-32-29-42(35-52(44)56)55(40-13-5-3-6-14-40)41-15-7-4-8-16-41)22-21-36-23-26-38(27-24-36)39-28-31-49-50(34-39)54-47-19-11-9-17-45(47)53(49)46-18-10-12-20-48(46)54/h3-35,53-54H,1-2H3/b22-21+.
What are the key properties of 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine?
5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine has a molecular weight of 732.02 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenylbenzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 89074923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).