N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine

C42H29NSi — CID 166025194

IUPACN-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C42H29NSi/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)43(32-15-5-2-6-16-32)34-27-28-38-37-19-9-12-22-41(37)44(42(38)29-34)39-20-10-7-17-35(39)36-18-8-11-21-40(36)44/h1-29H
InChIKeyUJYYPLIXFBDXLI-UHFFFAOYSA-N
MW575.79 g/mol
LogP8.16
Rot. Bonds4

About N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine

N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine (PubChem CID 166025194) has the molecular formula C42H29NSi and a molecular weight of 575.79 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
PubChem CID166025194
Molecular FormulaC42H29NSi
Molecular Weight575.79 g/mol
Exact Mass575.21
IUPAC NameN-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C42H29NSi/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)43(32-15-5-2-6-16-32)34-27-28-38-37-19-9-12-22-41(37)44(42(38)29-34)39-20-10-7-17-35(39)36-18-8-11-21-40(36)44/h1-29H
InChIKeyUJYYPLIXFBDXLI-UHFFFAOYSA-N
XLogP8.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.79
LogP ≤ 58.16
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-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
CID 148832286
N-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
CID 149430365
N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
CID 153221208
3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616
N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025205
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
N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine
CID 147100585
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline
CID 165050185
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
3,3',7,7'-tetrakis(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]
CID 20710018

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine (CID 166025194) is N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine?
The InChIKey is UJYYPLIXFBDXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NSi/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)43(32-15-5-2-6-16-32)34-27-28-38-37-19-9-12-22-41(37)44(42(38)29-34)39-20-10-7-17-35(39)36-18-8-11-21-40(36)44/h1-29H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine?
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine has a molecular weight of 575.79 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine is sourced from PubChem (CID 166025194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).