1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine

C184H124F4N8 — CID 159816751

IUPAC1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine
SMILESFc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(F)cc5)ccc5ccc2c3c54)cc1.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4ccccc4F)ccc4ccc1c2c43.[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7ccc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cc7)ccc7ccc4c5c76)cc3)cc2)c([2H])c1[2H].c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6ccccc6)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C58H40N2.C46H32N2.2C40H26F2N2/c1-5-13-41(14-6-1)43-21-31-50(32-22-43)59(48-17-9-3-10-18-48)51-35-25-45(26-36-51)53-37-27-46-29-39-55-56(40-30-47-28-38-54(53)57(46)58(47)55)60(49-19-11-4-12-20-49)52-33-23-44(24-34-52)42-15-7-2-8-16-42;1-5-13-36(14-6-1)47(37-15-7-2-8-16-37)40-27-21-33(22-28-40)41-29-23-34-25-31-43-44(32-26-35-24-30-42(41)45(34)46(35)43)48(38-17-9-3-10-18-38)39-19-11-4-12-20-39;41-33-15-7-9-17-37(33)43(29-11-3-1-4-12-29)35-25-21-27-20-24-32-36(26-22-28-19-23-31(35)39(27)40(28)32)44(30-13-5-2-6-14-30)38-18-10-8-16-34(38)42;41-29-15-19-33(20-16-29)43(31-7-3-1-4-8-31)37-25-13-27-12-24-36-38(26-14-28-11-23-35(37)39(27)40(28)36)44(32-9-5-2-6-10-32)34-21-17-30(42)18-22-34/h1-40H;1-32H;2*1-26H/i1D,2D,5D,6D,7D,8D,13D,14D,15D,16D;;;
InChIKeyNLSCBTWTQVLHFU-UXTSHWMNSA-N
MW2533.13 g/mol
LogP53.32
Rot. Bonds28

About 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine

1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine (PubChem CID 159816751) has the molecular formula C184H124F4N8 and a molecular weight of 2533.13 g/mol. Its IUPAC name is 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine.

Molecular Properties

Compound Name1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine
PubChem CID159816751
Molecular FormulaC184H124F4N8
Molecular Weight2533.13 g/mol
Exact Mass2531.05
IUPAC Name1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine
SMILESFc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(F)cc5)ccc5ccc2c3c54)cc1.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4ccccc4F)ccc4ccc1c2c43.[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7ccc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cc7)ccc7ccc4c5c76)cc3)cc2)c([2H])c1[2H].c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6ccccc6)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C58H40N2.C46H32N2.2C40H26F2N2/c1-5-13-41(14-6-1)43-21-31-50(32-22-43)59(48-17-9-3-10-18-48)51-35-25-45(26-36-51)53-37-27-46-29-39-55-56(40-30-47-28-38-54(53)57(46)58(47)55)60(49-19-11-4-12-20-49)52-33-23-44(24-34-52)42-15-7-2-8-16-42;1-5-13-36(14-6-1)47(37-15-7-2-8-16-37)40-27-21-33(22-28-40)41-29-23-34-25-31-43-44(32-26-35-24-30-42(41)45(34)46(35)43)48(38-17-9-3-10-18-38)39-19-11-4-12-20-39;41-33-15-7-9-17-37(33)43(29-11-3-1-4-12-29)35-25-21-27-20-24-32-36(26-22-28-19-23-31(35)39(27)40(28)32)44(30-13-5-2-6-14-30)38-18-10-8-16-34(38)42;41-29-15-19-33(20-16-29)43(31-7-3-1-4-8-31)37-25-13-27-12-24-36-38(26-14-28-11-23-35(37)39(27)40(28)36)44(32-9-5-2-6-10-32)34-21-17-30(42)18-22-34/h1-40H;1-32H;2*1-26H/i1D,2D,5D,6D,7D,8D,13D,14D,15D,16D;;;
InChIKeyNLSCBTWTQVLHFU-UXTSHWMNSA-N
XLogP53.32
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002533.13
LogP ≤ 553.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine with MolForge

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Related Compounds

1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(3-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;7-fluoro-1-[6-(7-fluoro-2,3-dihydroindol-1-yl)-3,8-diphenylpyren-1-yl]-2,3-dihydroindole;2-methyl-1-[6-(2-methyl-2,3-dihydroindol-1-yl)-3,8-diphenylpyren-1-yl]-2,3-dihydroindole;6-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenylpyren-1-amine
CID 163680882
1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine
CID 160889889
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine
CID 90264158
1-N,6-N-bis[2,5-difluoro-4-(4-phenylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099310
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
1-N,6-N-bis[2-fluoro-3,6-bis(4-phenylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357746
1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58322348
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
N-(3-methylphenyl)-6-[4-(N-(3-methylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 118516716
N,4-diphenyl-N-[4-[2-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[3-[3-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-[4-[4-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylaniline
CID 158064872
1-N,6-N-bis(2,6-difluoro-4-phenylphenyl)-1-N,6-N-bis(4-fluorophenyl)pyrene-1,6-diamine
CID 58099460

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine?
The IUPAC name of 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine (CID 159816751) is 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine.
What is the SMILES notation for 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine?
The canonical SMILES for 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine is Fc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(F)cc5)ccc5ccc2c3c54)cc1.Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4ccccc4F)ccc4ccc1c2c43.[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7ccc(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cc7)ccc7ccc4c5c76)cc3)cc2)c([2H])c1[2H].c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6ccccc6)ccc6ccc3c4c65)cc2)cc1.
What is the InChIKey of 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine?
The InChIKey is NLSCBTWTQVLHFU-UXTSHWMNSA-N. The full InChI is InChI=1S/C58H40N2.C46H32N2.2C40H26F2N2/c1-5-13-41(14-6-1)43-21-31-50(32-22-43)59(48-17-9-3-10-18-48)51-35-25-45(26-36-51)53-37-27-46-29-39-55-56(40-30-47-28-38-54(53)57(46)58(47)55)60(49-19-11-4-12-20-49)52-33-23-44(24-34-52)42-15-7-2-8-16-42;1-5-13-36(14-6-1)47(37-15-7-2-8-16-37)40-27-21-33(22-28-40)41-29-23-34-25-31-43-44(32-26-35-24-30-42(41)45(34)46(35)43)48(38-17-9-3-10-18-38)39-19-11-4-12-20-39;41-33-15-7-9-17-37(33)43(29-11-3-1-4-12-29)35-25-21-27-20-24-32-36(26-22-28-19-23-31(35)39(27)40(28)32)44(30-13-5-2-6-14-30)38-18-10-8-16-34(38)42;41-29-15-19-33(20-16-29)43(31-7-3-1-4-8-31)37-25-13-27-12-24-36-38(26-14-28-11-23-35(37)39(27)40(28)36)44(32-9-5-2-6-10-32)34-21-17-30(42)18-22-34/h1-40H;1-32H;2*1-26H/i1D,2D,5D,6D,7D,8D,13D,14D,15D,16D;;;.
What are the key properties of 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine?
1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine has a molecular weight of 2533.13 g/mol, XLogP of 53.32, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-N-phenylpyren-1-amine is sourced from PubChem (CID 159816751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).