N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine

C56H40N2Si — CID 153458979

IUPACN-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H40N2Si/c1-5-19-41(20-6-1)42-33-35-45(36-34-42)57(54-39-43-21-13-14-28-49(43)50-29-15-16-30-51(50)54)46-37-38-53-56(40-46)59(47-24-9-3-10-25-47,48-26-11-4-12-27-48)55-32-18-17-31-52(55)58(53)44-22-7-2-8-23-44/h1-40H
InChIKeyMWBXLSFRVYWTLM-UHFFFAOYSA-N
MW769.04 g/mol
LogP12.29
Rot. Bonds7

About N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine

N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine (PubChem CID 153458979) has the molecular formula C56H40N2Si and a molecular weight of 769.04 g/mol. Its IUPAC name is N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
PubChem CID153458979
Molecular FormulaC56H40N2Si
Molecular Weight769.04 g/mol
Exact Mass768.30
IUPAC NameN-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H40N2Si/c1-5-19-41(20-6-1)42-33-35-45(36-34-42)57(54-39-43-21-13-14-28-49(43)50-29-15-16-30-51(50)54)46-37-38-53-56(40-46)59(47-24-9-3-10-25-47,48-26-11-4-12-27-48)55-32-18-17-31-52(55)58(53)44-22-7-2-8-23-44/h1-40H
InChIKeyMWBXLSFRVYWTLM-UHFFFAOYSA-N
XLogP12.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.04
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine with MolForge

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Related Compounds

N-phenanthren-9-yl-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
CID 147645389
N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
CID 153459020
N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine
CID 122425443
10,10-di(dibenzofuran-3-yl)-N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
CID 147336789
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 140728891
N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
CID 153459046
3-phenyl-N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 153459005
5,10,10-triphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine;5,10,10-triphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1,4]benzazasilin-3-amine;5,10,10-triphenyl-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]benzo[b][1,4]benzazasilin-3-amine
CID 159227022
N,N-diphenyl-4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)aniline
CID 153458924
10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
CID 148982605
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]phenanthren-9-amine
CID 140728886
N,2-bis(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline;3-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 160555573

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?
The IUPAC name of N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine (CID 153458979) is N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?
The canonical SMILES for N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?
The InChIKey is MWBXLSFRVYWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2Si/c1-5-19-41(20-6-1)42-33-35-45(36-34-42)57(54-39-43-21-13-14-28-49(43)50-29-15-16-30-51(50)54)46-37-38-53-56(40-46)59(47-24-9-3-10-25-47,48-26-11-4-12-27-48)55-32-18-17-31-52(55)58(53)44-22-7-2-8-23-44/h1-40H.
What are the key properties of N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?
N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine has a molecular weight of 769.04 g/mol, XLogP of 12.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine is sourced from PubChem (CID 153458979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).