N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine

C52H38N2Si — CID 153459046

IUPACN-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)N(c2ccccc2)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H38N2Si/c1-5-19-43(20-6-1)53(45-33-31-40(32-34-45)42-30-29-39-17-13-14-18-41(39)37-42)46-35-36-52-50(38-46)54(44-21-7-2-8-22-44)49-27-15-16-28-51(49)55(52,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-38H
InChIKeyHOMINFNHYTXNOA-UHFFFAOYSA-N
MW718.98 g/mol
LogP11.14
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine

N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine (PubChem CID 153459046) has the molecular formula C52H38N2Si and a molecular weight of 718.98 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
PubChem CID153459046
Molecular FormulaC52H38N2Si
Molecular Weight718.98 g/mol
Exact Mass718.28
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)N(c2ccccc2)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H38N2Si/c1-5-19-43(20-6-1)53(45-33-31-40(32-34-45)42-30-29-39-17-13-14-18-41(39)37-42)46-35-36-52-50(38-46)54(44-21-7-2-8-22-44)49-27-15-16-28-51(49)55(52,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-38H
InChIKeyHOMINFNHYTXNOA-UHFFFAOYSA-N
XLogP11.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.98
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
3-phenyl-N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 153459005
N,N-bis(4-naphthalen-1-ylphenyl)-4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 158352368
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
N-phenanthren-9-yl-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
CID 147645389
N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine
CID 149206200
N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
CID 153459020
N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
CID 153458979
14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 162507221
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-amine
CID 153459019
N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine
CID 140752711

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine (CID 153459046) is N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)N(c2ccccc2)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine?
The InChIKey is HOMINFNHYTXNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2Si/c1-5-19-43(20-6-1)53(45-33-31-40(32-34-45)42-30-29-39-17-13-14-18-41(39)37-42)46-35-36-52-50(38-46)54(44-21-7-2-8-22-44)49-27-15-16-28-51(49)55(52,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-38H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine?
N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine has a molecular weight of 718.98 g/mol, XLogP of 11.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine is sourced from PubChem (CID 153459046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).