N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine

C50H37NSi — CID 164747918

IUPACN-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C50H37NSi/c1-5-15-38(16-6-1)39-27-29-42(30-28-39)51(44-33-36-50-41(37-44)26-25-40-17-13-14-24-49(40)50)43-31-34-48(35-32-43)52(45-18-7-2-8-19-45,46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-37H
InChIKeyUNXHJRVLRIHLFO-UHFFFAOYSA-N
MW679.94 g/mol
LogP10.51
Rot. Bonds8

About N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine

N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine (PubChem CID 164747918) has the molecular formula C50H37NSi and a molecular weight of 679.94 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine
PubChem CID164747918
Molecular FormulaC50H37NSi
Molecular Weight679.94 g/mol
Exact Mass679.27
IUPAC NameN-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C50H37NSi/c1-5-15-38(16-6-1)39-27-29-42(30-28-39)51(44-33-36-50-41(37-44)26-25-40-17-13-14-24-49(40)50)43-31-34-48(35-32-43)52(45-18-7-2-8-19-45,46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-37H
InChIKeyUNXHJRVLRIHLFO-UHFFFAOYSA-N
XLogP10.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.94
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]naphthalen-2-amine
CID 59720596
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-[4-(4-triphenylsilylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 158527039
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine (CID 164747918) is N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine?
The InChIKey is UNXHJRVLRIHLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NSi/c1-5-15-38(16-6-1)39-27-29-42(30-28-39)51(44-33-36-50-41(37-44)26-25-40-17-13-14-24-49(40)50)43-31-34-48(35-32-43)52(45-18-7-2-8-19-45,46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-37H.
What are the key properties of N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine?
N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine has a molecular weight of 679.94 g/mol, XLogP of 10.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine is sourced from PubChem (CID 164747918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).