N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline

C44H35NSi — CID 176764642

IUPACN-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)c21
InChIInChI=1S/C44H35NSi/c1-46(2)43-25-10-9-22-41(43)42-24-13-23-40(44(42)46)36-17-12-21-39(31-36)45(37-18-7-4-8-19-37)38-20-11-16-35(30-38)34-28-26-33(27-29-34)32-14-5-3-6-15-32/h3-31H,1-2H3
InChIKeyQNPPJYJFQAJGKL-UHFFFAOYSA-N
MW605.86 g/mol
LogP10.96
Rot. Bonds6

About N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline

N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline (PubChem CID 176764642) has the molecular formula C44H35NSi and a molecular weight of 605.86 g/mol. Its IUPAC name is N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
PubChem CID176764642
Molecular FormulaC44H35NSi
Molecular Weight605.86 g/mol
Exact Mass605.25
IUPAC NameN-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)c21
InChIInChI=1S/C44H35NSi/c1-46(2)43-25-10-9-22-41(43)42-24-13-23-40(44(42)46)36-17-12-21-39(31-36)45(37-18-7-4-8-19-37)38-20-11-16-35(30-38)34-28-26-33(27-29-34)32-14-5-3-6-15-32/h3-31H,1-2H3
InChIKeyQNPPJYJFQAJGKL-UHFFFAOYSA-N
XLogP10.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.86
LogP ≤ 510.96
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

2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787052
N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(3-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504602
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
4-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133577
N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504641
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline (CID 176764642) is N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline is C[Si]1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)c21.
What is the InChIKey of N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
The InChIKey is QNPPJYJFQAJGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35NSi/c1-46(2)43-25-10-9-22-41(43)42-24-13-23-40(44(42)46)36-17-12-21-39(31-36)45(37-18-7-4-8-19-37)38-20-11-16-35(30-38)34-28-26-33(27-29-34)32-14-5-3-6-15-32/h3-31H,1-2H3.
What are the key properties of N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline?
N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline has a molecular weight of 605.86 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 176764642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).