6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine

C159H112B3N3Si — CID 157196079

IUPAC6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2-c2ccccc2)c2ccc3ccc4c(B(c5cccc6ccccc56)c5cccc6ccccc56)ccc5ccc2c3c54)cc1.[2H]c1c([2H])c([2H])c(N(c2ccc3ccccc3c2)c2ccc3ccc4c(B(c5ccccc5)c5cccc6ccccc56)ccc5ccc2c3c54)c([2H])c1[2H].c1ccc(B(c2cccc3ccccc23)c2ccc3ccc4c(N(c5ccc6ccccc6c5)c5ccccc5-c5ccccc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C57H44BNSi.C54H36BN.C48H32BN/c1-60(2,3)45-33-31-44(32-34-45)59(54-26-12-11-23-48(54)41-15-5-4-6-16-41)55-38-30-43-27-35-49-53(37-29-42-28-36-50(55)57(43)56(42)49)58(51-24-13-19-39-17-7-9-21-46(39)51)52-25-14-20-40-18-8-10-22-47(40)52;1-3-15-39(16-4-1)46-23-11-12-25-51(46)56(44-31-26-37-14-7-8-18-42(37)36-44)52-35-30-41-27-32-47-50(34-29-40-28-33-48(52)54(41)53(40)47)55(43-20-5-2-6-21-43)49-24-13-19-38-17-9-10-22-45(38)49;1-3-16-38(17-4-1)49(44-21-11-15-34-13-9-10-20-41(34)44)45-30-25-35-24-29-43-46(31-26-36-23-28-42(45)47(35)48(36)43)50(39-18-5-2-6-19-39)40-27-22-33-12-7-8-14-37(33)32-40/h4-38H,1-3H3;1-36H;1-32H/i;;2D,5D,6D,18D,19D
InChIKeyAQGORMRWHPAATR-LRFWFTDSSA-N
MW2130.22 g/mol
LogP36.51
Rot. Bonds21

About 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine

6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine (PubChem CID 157196079) has the molecular formula C159H112B3N3Si and a molecular weight of 2130.22 g/mol. Its IUPAC name is 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine.

Molecular Properties

Compound Name6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine
PubChem CID157196079
Molecular FormulaC159H112B3N3Si
Molecular Weight2130.22 g/mol
Exact Mass2128.92
IUPAC Name6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2-c2ccccc2)c2ccc3ccc4c(B(c5cccc6ccccc56)c5cccc6ccccc56)ccc5ccc2c3c54)cc1.[2H]c1c([2H])c([2H])c(N(c2ccc3ccccc3c2)c2ccc3ccc4c(B(c5ccccc5)c5cccc6ccccc56)ccc5ccc2c3c54)c([2H])c1[2H].c1ccc(B(c2cccc3ccccc23)c2ccc3ccc4c(N(c5ccc6ccccc6c5)c5ccccc5-c5ccccc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C57H44BNSi.C54H36BN.C48H32BN/c1-60(2,3)45-33-31-44(32-34-45)59(54-26-12-11-23-48(54)41-15-5-4-6-16-41)55-38-30-43-27-35-49-53(37-29-42-28-36-50(55)57(43)56(42)49)58(51-24-13-19-39-17-7-9-21-46(39)51)52-25-14-20-40-18-8-10-22-47(40)52;1-3-15-39(16-4-1)46-23-11-12-25-51(46)56(44-31-26-37-14-7-8-18-42(37)36-44)52-35-30-41-27-32-47-50(34-29-40-28-33-48(52)54(41)53(40)47)55(43-20-5-2-6-21-43)49-24-13-19-38-17-9-10-22-45(38)49;1-3-16-38(17-4-1)49(44-21-11-15-34-13-9-10-20-41(34)44)45-30-25-35-24-29-43-46(31-26-36-23-28-42(45)47(35)48(36)43)50(39-18-5-2-6-19-39)40-27-22-33-12-7-8-14-37(33)32-40/h4-38H,1-3H3;1-36H;1-32H/i;;2D,5D,6D,18D,19D
InChIKeyAQGORMRWHPAATR-LRFWFTDSSA-N
XLogP36.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002130.22
LogP ≤ 536.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine
CID 140727703
2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine
CID 58855159
14-[(2-methylphenyl)-naphthalen-1-ylboranyl]-N-phenanthren-2-yl-N-(2-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
CID 140727304
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451676
N-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503170
N-phenanthren-2-yl-N-(2-phenylphenyl)-14-[phenyl-(2,4,6-trimethylphenyl)boranyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
CID 140727265
14-N-naphthalen-2-yl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 123316620
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 167183489
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 140727711

Frequently Asked Questions

What is the IUPAC name of 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine?
The IUPAC name of 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine (CID 157196079) is 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine.
What is the SMILES notation for 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine?
The canonical SMILES for 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine is C[Si](C)(C)c1ccc(N(c2ccccc2-c2ccccc2)c2ccc3ccc4c(B(c5cccc6ccccc56)c5cccc6ccccc56)ccc5ccc2c3c54)cc1.[2H]c1c([2H])c([2H])c(N(c2ccc3ccccc3c2)c2ccc3ccc4c(B(c5ccccc5)c5cccc6ccccc56)ccc5ccc2c3c54)c([2H])c1[2H].c1ccc(B(c2cccc3ccccc23)c2ccc3ccc4c(N(c5ccc6ccccc6c5)c5ccccc5-c5ccccc5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine?
The InChIKey is AQGORMRWHPAATR-LRFWFTDSSA-N. The full InChI is InChI=1S/C57H44BNSi.C54H36BN.C48H32BN/c1-60(2,3)45-33-31-44(32-34-45)59(54-26-12-11-23-48(54)41-15-5-4-6-16-41)55-38-30-43-27-35-49-53(37-29-42-28-36-50(55)57(43)56(42)49)58(51-24-13-19-39-17-7-9-21-46(39)51)52-25-14-20-40-18-8-10-22-47(40)52;1-3-15-39(16-4-1)46-23-11-12-25-51(46)56(44-31-26-37-14-7-8-18-42(37)36-44)52-35-30-41-27-32-47-50(34-29-40-28-33-48(52)54(41)53(40)47)55(43-20-5-2-6-21-43)49-24-13-19-38-17-9-10-22-45(38)49;1-3-16-38(17-4-1)49(44-21-11-15-34-13-9-10-20-41(34)44)45-30-25-35-24-29-43-46(31-26-36-23-28-42(45)47(35)48(36)43)50(39-18-5-2-6-19-39)40-27-22-33-12-7-8-14-37(33)32-40/h4-38H,1-3H3;1-36H;1-32H/i;;2D,5D,6D,18D,19D.
What are the key properties of 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine?
6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine has a molecular weight of 2130.22 g/mol, XLogP of 36.51, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dinaphthalen-1-ylboranyl-N-(2-phenylphenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-amine;N-naphthalen-2-yl-6-[naphthalen-1-yl(phenyl)boranyl]-N-(2-phenylphenyl)pyren-1-amine is sourced from PubChem (CID 157196079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).