1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine

C154H152N6 — CID 162139755

IUPAC1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine
SMILESCCc1cccc(C)c1N(c1c(C)cccc1C)c1ccc2ccc3c(N(c4c(C)cccc4C)c4c(C)cccc4CC)ccc4ccc1c2c43.CCc1cccc(C)c1N(c1c(C)cccc1CC)c1ccc2ccc3c(N(c4c(C)cccc4CC)c4c(C)cccc4CC)ccc4ccc1c2c43.CCc1cccc(CC)c1N(c1c(C)cccc1C)c1ccc2ccc3c(N(c4c(C)cccc4C)c4c(CC)cccc4CC)ccc4ccc1c2c43
InChIInChI=1S/2C52H52N2.C50H48N2/c1-9-37-21-13-17-33(5)49(37)53(50-34(6)18-14-22-38(50)10-2)45-31-27-41-26-30-44-46(32-28-42-25-29-43(45)47(41)48(42)44)54(51-35(7)19-15-23-39(51)11-3)52-36(8)20-16-24-40(52)12-4;1-9-37-21-15-22-38(10-2)51(37)53(49-33(5)17-13-18-34(49)6)45-31-27-41-26-30-44-46(32-28-42-25-29-43(45)47(41)48(42)44)54(50-35(7)19-14-20-36(50)8)52-39(11-3)23-16-24-40(52)12-4;1-9-37-21-13-19-35(7)49(37)51(47-31(3)15-11-16-32(47)4)43-29-25-39-24-28-42-44(30-26-40-23-27-41(43)45(39)46(40)42)52(48-33(5)17-12-18-34(48)6)50-36(8)20-14-22-38(50)10-2/h2*13-32H,9-12H2,1-8H3;11-30H,9-10H2,1-8H3
InChIKeyZJTQVGUEGFITLM-UHFFFAOYSA-N
MW2086.95 g/mol
LogP44.51
Rot. Bonds28

About 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine (PubChem CID 162139755) has the molecular formula C154H152N6 and a molecular weight of 2086.95 g/mol. Its IUPAC name is 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine
PubChem CID162139755
Molecular FormulaC154H152N6
Molecular Weight2086.95 g/mol
Exact Mass2085.21
IUPAC Name1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine
SMILESCCc1cccc(C)c1N(c1c(C)cccc1C)c1ccc2ccc3c(N(c4c(C)cccc4C)c4c(C)cccc4CC)ccc4ccc1c2c43.CCc1cccc(C)c1N(c1c(C)cccc1CC)c1ccc2ccc3c(N(c4c(C)cccc4CC)c4c(C)cccc4CC)ccc4ccc1c2c43.CCc1cccc(CC)c1N(c1c(C)cccc1C)c1ccc2ccc3c(N(c4c(C)cccc4C)c4c(CC)cccc4CC)ccc4ccc1c2c43
InChIInChI=1S/2C52H52N2.C50H48N2/c1-9-37-21-13-17-33(5)49(37)53(50-34(6)18-14-22-38(50)10-2)45-31-27-41-26-30-44-46(32-28-42-25-29-43(45)47(41)48(42)44)54(51-35(7)19-15-23-39(51)11-3)52-36(8)20-16-24-40(52)12-4;1-9-37-21-15-22-38(10-2)51(37)53(49-33(5)17-13-18-34(49)6)45-31-27-41-26-30-44-46(32-28-42-25-29-43(45)47(41)48(42)44)54(50-35(7)19-14-20-36(50)8)52-39(11-3)23-16-24-40(52)12-4;1-9-37-21-13-19-35(7)49(37)51(47-31(3)15-11-16-32(47)4)43-29-25-39-24-28-42-44(30-26-40-23-27-41(43)45(39)46(40)42)52(48-33(5)17-12-18-34(48)6)50-36(8)20-14-22-38(50)10-2/h2*13-32H,9-12H2,1-8H3;11-30H,9-10H2,1-8H3
InChIKeyZJTQVGUEGFITLM-UHFFFAOYSA-N
XLogP44.51
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002086.95
LogP ≤ 544.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2,3,5,6-tetramethylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2,6-dimethyl-4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine
CID 157491163
1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 134169489
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(2,6-diethylphenyl)pyrene-1,3,6,8-tetramine
CID 176876629
1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2,6-dimethyl-3-phenylphenyl)pyrene-1,6-diamine
CID 129062587
1-N,6-N-bis(2-methyl-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062572
1-N,3-N,6-N,8-N-tetrakis(2,6-diethyl-4-fluorophenyl)-1-N,3-N,6-N,8-N-tetrakis(2,6-diethylphenyl)pyrene-1,3,6,8-tetramine
CID 176876977
1-N,6-N-bis[3,5-bis(2-methylphenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
CID 58322186
2-ethyl-N-[4-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]phenyl]-6-methyl-N-phenylaniline
CID 22900130
N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
CID 58322424
N-(4-bromophenyl)-2-ethyl-6-methyl-N-phenylaniline
CID 118968850
N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 58177556

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine (CID 162139755) is 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine is CCc1cccc(C)c1N(c1c(C)cccc1C)c1ccc2ccc3c(N(c4c(C)cccc4C)c4c(C)cccc4CC)ccc4ccc1c2c43.CCc1cccc(C)c1N(c1c(C)cccc1CC)c1ccc2ccc3c(N(c4c(C)cccc4CC)c4c(C)cccc4CC)ccc4ccc1c2c43.CCc1cccc(CC)c1N(c1c(C)cccc1C)c1ccc2ccc3c(N(c4c(C)cccc4C)c4c(CC)cccc4CC)ccc4ccc1c2c43.
What is the InChIKey of 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine?
The InChIKey is ZJTQVGUEGFITLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H52N2.C50H48N2/c1-9-37-21-13-17-33(5)49(37)53(50-34(6)18-14-22-38(50)10-2)45-31-27-41-26-30-44-46(32-28-42-25-29-43(45)47(41)48(42)44)54(51-35(7)19-15-23-39(51)11-3)52-36(8)20-16-24-40(52)12-4;1-9-37-21-15-22-38(10-2)51(37)53(49-33(5)17-13-18-34(49)6)45-31-27-41-26-30-44-46(32-28-42-25-29-43(45)47(41)48(42)44)54(50-35(7)19-14-20-36(50)8)52-39(11-3)23-16-24-40(52)12-4;1-9-37-21-13-19-35(7)49(37)51(47-31(3)15-11-16-32(47)4)43-29-25-39-24-28-42-44(30-26-40-23-27-41(43)45(39)46(40)42)52(48-33(5)17-12-18-34(48)6)50-36(8)20-14-22-38(50)10-2/h2*13-32H,9-12H2,1-8H3;11-30H,9-10H2,1-8H3.
What are the key properties of 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine has a molecular weight of 2086.95 g/mol, XLogP of 44.51, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 162139755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).