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

C164H180N6Si4 — CID 157491163

IUPAC1-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
SMILESCCc1cccc(C)c1N(c1c(C)cccc1CC)c1ccc2ccc3c(N(c4c(C)cccc4CC)c4c(C)cccc4CC)ccc4ccc1c2c43.Cc1cc(C)c(C)c(N(c2c(C)cccc2C)c2ccc3ccc4c(N(c5c(C)cccc5C)c5c(C)c(C)cc(C)c5C)ccc5ccc2c3c54)c1C.Cc1cc([Si](C)(C)C)cc(C)c1N(c1c(C)cc([Si](C)(C)C)cc1C)c1ccc2ccc3c(N(c4c(C)cc([Si](C)(C)C)cc4C)c4c(C)cc([Si](C)(C)C)cc4C)ccc4ccc1c2c43
InChIInChI=1S/C60H76N2Si4.2C52H52N2/c1-37-29-47(63(9,10)11)30-38(2)57(37)61(58-39(3)31-48(32-40(58)4)64(12,13)14)53-27-23-45-22-26-52-54(28-24-46-21-25-51(53)55(45)56(46)52)62(59-41(5)33-49(34-42(59)6)65(15,16)17)60-43(7)35-50(36-44(60)8)66(18,19)20;1-29-15-13-16-30(2)49(29)53(51-37(9)33(5)27-34(6)38(51)10)45-25-21-41-20-24-44-46(26-22-42-19-23-43(45)47(41)48(42)44)54(50-31(3)17-14-18-32(50)4)52-39(11)35(7)28-36(8)40(52)12;1-9-37-21-13-17-33(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/h21-36H,1-20H3;13-28H,1-12H3;13-32H,9-12H2,1-8H3
InChIKeyBXHHWNYMCODCRD-UHFFFAOYSA-N
MW2347.63 g/mol
LogP46.40
Rot. Bonds26

About 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

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 (PubChem CID 157491163) has the molecular formula C164H180N6Si4 and a molecular weight of 2347.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157491163
Molecular FormulaC164H180N6Si4
Molecular Weight2347.63 g/mol
Exact Mass2345.33
IUPAC Name1-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
SMILESCCc1cccc(C)c1N(c1c(C)cccc1CC)c1ccc2ccc3c(N(c4c(C)cccc4CC)c4c(C)cccc4CC)ccc4ccc1c2c43.Cc1cc(C)c(C)c(N(c2c(C)cccc2C)c2ccc3ccc4c(N(c5c(C)cccc5C)c5c(C)c(C)cc(C)c5C)ccc5ccc2c3c54)c1C.Cc1cc([Si](C)(C)C)cc(C)c1N(c1c(C)cc([Si](C)(C)C)cc1C)c1ccc2ccc3c(N(c4c(C)cc([Si](C)(C)C)cc4C)c4c(C)cc([Si](C)(C)C)cc4C)ccc4ccc1c2c43
InChIInChI=1S/C60H76N2Si4.2C52H52N2/c1-37-29-47(63(9,10)11)30-38(2)57(37)61(58-39(3)31-48(32-40(58)4)64(12,13)14)53-27-23-45-22-26-52-54(28-24-46-21-25-51(53)55(45)56(46)52)62(59-41(5)33-49(34-42(59)6)65(15,16)17)60-43(7)35-50(36-44(60)8)66(18,19)20;1-29-15-13-16-30(2)49(29)53(51-37(9)33(5)27-34(6)38(51)10)45-25-21-41-20-24-44-46(26-22-42-19-23-43(45)47(41)48(42)44)54(50-31(3)17-14-18-32(50)4)52-39(11)35(7)28-36(8)40(52)12;1-9-37-21-13-17-33(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/h21-36H,1-20H3;13-28H,1-12H3;13-32H,9-12H2,1-8H3
InChIKeyBXHHWNYMCODCRD-UHFFFAOYSA-N
XLogP46.40
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002347.63
LogP ≤ 546.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-(2,6-dimethylphenyl)-4,6-difluorophenyl]-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58099470
1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine
CID 160928353
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
N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
1-N,6-N-bis(2-methyl-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062572
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-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyren-1-amine
CID 59592475
1-N,3-N-bis(2-methylphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine
CID 15220908

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cccc(C)c1N(c1c(C)cccc1CC)c1ccc2ccc3c(N(c4c(C)cccc4CC)c4c(C)cccc4CC)ccc4ccc1c2c43.Cc1cc(C)c(C)c(N(c2c(C)cccc2C)c2ccc3ccc4c(N(c5c(C)cccc5C)c5c(C)c(C)cc(C)c5C)ccc5ccc2c3c54)c1C.Cc1cc([Si](C)(C)C)cc(C)c1N(c1c(C)cc([Si](C)(C)C)cc1C)c1ccc2ccc3c(N(c4c(C)cc([Si](C)(C)C)cc4C)c4c(C)cc([Si](C)(C)C)cc4C)ccc4ccc1c2c43.
What is the InChIKey of 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?
The InChIKey is BXHHWNYMCODCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H76N2Si4.2C52H52N2/c1-37-29-47(63(9,10)11)30-38(2)57(37)61(58-39(3)31-48(32-40(58)4)64(12,13)14)53-27-23-45-22-26-52-54(28-24-46-21-25-51(53)55(45)56(46)52)62(59-41(5)33-49(34-42(59)6)65(15,16)17)60-43(7)35-50(36-44(60)8)66(18,19)20;1-29-15-13-16-30(2)49(29)53(51-37(9)33(5)27-34(6)38(51)10)45-25-21-41-20-24-44-46(26-22-42-19-23-43(45)47(41)48(42)44)54(50-31(3)17-14-18-32(50)4)52-39(11)35(7)28-36(8)40(52)12;1-9-37-21-13-17-33(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/h21-36H,1-20H3;13-28H,1-12H3;13-32H,9-12H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 2347.63 g/mol, XLogP of 46.40, 26 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-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 is sourced from PubChem (CID 157491163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).