1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine

C316H320N12O12 — CID 160963806

IUPAC1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine
SMILESCCCCOc1ccc(N(c2ccc(C)cc2)c2cc(CCCC)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc(CCCC)c5ccc2c3c54)cc1.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC(C)C)cc4)c4ccc1c2c34.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)c4ccc1c2c34.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)c4ccc1c2c34.COc1ccc(N(c2ccc(C)cc2)c2cc(C(C)(C)C)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(C(C)(C)C)c5ccc2c3c45)cc1.COc1ccc(N(c2ccc(C)cc2)c2cc(C)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(C)c5ccc2c3c54)cc1
InChIInChI=1S/C58H64N2O2.C56H60N2O2.3C52H52N2O2.C46H40N2O2/c1-7-11-15-43-39-55(59(45-21-17-41(5)18-22-45)47-25-29-49(30-26-47)61-37-13-9-3)53-36-34-52-44(16-12-8-2)40-56(54-35-33-51(43)57(53)58(52)54)60(46-23-19-42(6)20-24-46)48-27-31-50(32-28-48)62-38-14-10-4;1-9-11-13-41-35-53(57(43-19-15-39(7)16-20-43)45-23-27-47(28-24-45)59-37(3)4)51-34-32-50-42(14-12-10-2)36-54(52-33-31-49(41)55(51)56(50)52)58(44-21-17-40(8)18-22-44)46-25-29-48(30-26-46)60-38(5)6;1-33-11-15-35(16-12-33)53(37-19-23-39(55-9)24-20-37)47-31-45(51(3,4)5)41-28-30-44-48(32-46(52(6,7)8)42-27-29-43(47)49(41)50(42)44)54(36-17-13-34(2)14-18-36)38-21-25-40(56-10)26-22-38;2*1-7-9-11-37-33-49(53(39-17-13-35(3)14-18-39)41-21-25-43(55-5)26-22-41)47-32-30-46-38(12-10-8-2)34-50(48-31-29-45(37)51(47)52(46)48)54(40-19-15-36(4)16-20-40)42-23-27-44(56-6)28-24-42;1-29-7-11-33(12-8-29)47(35-15-19-37(49-5)20-16-35)43-27-31(3)39-24-26-42-44(28-32(4)40-23-25-41(43)45(39)46(40)42)48(34-13-9-30(2)10-14-34)36-17-21-38(50-6)22-18-36/h17-36,39-40H,7-16,37-38H2,1-6H3;15-38H,9-14H2,1-8H3;11-32H,1-10H3;2*13-34H,7-12H2,1-6H3;7-28H,1-6H3
InChIKeySXIUBAUNWRSNAT-UHFFFAOYSA-N
MW4478.11 g/mol
LogP90.80
Rot. Bonds80

About 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine

1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine (PubChem CID 160963806) has the molecular formula C316H320N12O12 and a molecular weight of 4478.11 g/mol. Its IUPAC name is 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine
PubChem CID160963806
Molecular FormulaC316H320N12O12
Molecular Weight4478.11 g/mol
Exact Mass4474.48
IUPAC Name1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine
SMILESCCCCOc1ccc(N(c2ccc(C)cc2)c2cc(CCCC)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc(CCCC)c5ccc2c3c54)cc1.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC(C)C)cc4)c4ccc1c2c34.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)c4ccc1c2c34.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)c4ccc1c2c34.COc1ccc(N(c2ccc(C)cc2)c2cc(C(C)(C)C)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(C(C)(C)C)c5ccc2c3c45)cc1.COc1ccc(N(c2ccc(C)cc2)c2cc(C)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(C)c5ccc2c3c54)cc1
InChIInChI=1S/C58H64N2O2.C56H60N2O2.3C52H52N2O2.C46H40N2O2/c1-7-11-15-43-39-55(59(45-21-17-41(5)18-22-45)47-25-29-49(30-26-47)61-37-13-9-3)53-36-34-52-44(16-12-8-2)40-56(54-35-33-51(43)57(53)58(52)54)60(46-23-19-42(6)20-24-46)48-27-31-50(32-28-48)62-38-14-10-4;1-9-11-13-41-35-53(57(43-19-15-39(7)16-20-43)45-23-27-47(28-24-45)59-37(3)4)51-34-32-50-42(14-12-10-2)36-54(52-33-31-49(41)55(51)56(50)52)58(44-21-17-40(8)18-22-44)46-25-29-48(30-26-46)60-38(5)6;1-33-11-15-35(16-12-33)53(37-19-23-39(55-9)24-20-37)47-31-45(51(3,4)5)41-28-30-44-48(32-46(52(6,7)8)42-27-29-43(47)49(41)50(42)44)54(36-17-13-34(2)14-18-36)38-21-25-40(56-10)26-22-38;2*1-7-9-11-37-33-49(53(39-17-13-35(3)14-18-39)41-21-25-43(55-5)26-22-41)47-32-30-46-38(12-10-8-2)34-50(48-31-29-45(37)51(47)52(46)48)54(40-19-15-36(4)16-20-40)42-23-27-44(56-6)28-24-42;1-29-7-11-33(12-8-29)47(35-15-19-37(49-5)20-16-35)43-27-31(3)39-24-26-42-44(28-32(4)40-23-25-41(43)45(39)46(40)42)48(34-13-9-30(2)10-14-34)36-17-21-38(50-6)22-18-36/h17-36,39-40H,7-16,37-38H2,1-6H3;15-38H,9-14H2,1-8H3;11-32H,1-10H3;2*13-34H,7-12H2,1-6H3;7-28H,1-6H3
InChIKeySXIUBAUNWRSNAT-UHFFFAOYSA-N
XLogP90.80
TPSA149.64 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds80
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004478.11
LogP ≤ 590.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 59309009
3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59309262
1-N,6-N-bis(4-butoxy-2,6-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
CID 59309025
1-N,6-N-bis(4-tert-butylphenyl)-3,8-bis(6-methoxynaphthalen-2-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
CID 59308958
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-octoxyphenyl)anthracene-9,10-diamine
CID 59372339
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
8-N,22-N-bis(4-butoxyphenyl)-8-N,22-N-bis(4-ethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethoxyphenyl)-8-N,22-N-bis(4-ethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-yloxyphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propoxyphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 160664510
1-N,6-N-bis[4-(3-anthracen-9-ylpropyl)phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[4-[3-(4-butoxyphenyl)propoxy]phenyl]-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis[4-(3-phenylpropoxy)phenyl]pyrene-1,6-diamine
CID 158585329
1,4-bis(2-methoxyethoxy)-2,5-dimethylbenzene;1,6-bis[3-(2-methoxyethoxy)propyl]-3,8-dimethylpyrene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-7-(2-methoxyethoxymethyl)-9,10-dimethylanthracene;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-7-[2-(2-methoxyethoxy)ethyl]-9,10-dimethylanthracene;N-[4-(2-methoxyethoxy)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 160893044
4-N-(2-butyl-4-tert-butyl-6-methylphenyl)-1-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 166998387
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
3,8-ditert-butyl-1-N,1-N,6-N,6-N-tetrakis(3,5-ditert-butylphenyl)pyrene-1,6-diamine
CID 164817666

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine (CID 160963806) is 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine is CCCCOc1ccc(N(c2ccc(C)cc2)c2cc(CCCC)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc(CCCC)c5ccc2c3c54)cc1.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC(C)C)cc4)c4ccc1c2c34.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)c4ccc1c2c34.CCCCc1cc(N(c2ccc(C)cc2)c2ccc(OC)cc2)c2ccc3c(CCCC)cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)c4ccc1c2c34.COc1ccc(N(c2ccc(C)cc2)c2cc(C(C)(C)C)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(C(C)(C)C)c5ccc2c3c45)cc1.COc1ccc(N(c2ccc(C)cc2)c2cc(C)c3ccc4c(N(c5ccc(C)cc5)c5ccc(OC)cc5)cc(C)c5ccc2c3c54)cc1.
What is the InChIKey of 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine?
The InChIKey is SXIUBAUNWRSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64N2O2.C56H60N2O2.3C52H52N2O2.C46H40N2O2/c1-7-11-15-43-39-55(59(45-21-17-41(5)18-22-45)47-25-29-49(30-26-47)61-37-13-9-3)53-36-34-52-44(16-12-8-2)40-56(54-35-33-51(43)57(53)58(52)54)60(46-23-19-42(6)20-24-46)48-27-31-50(32-28-48)62-38-14-10-4;1-9-11-13-41-35-53(57(43-19-15-39(7)16-20-43)45-23-27-47(28-24-45)59-37(3)4)51-34-32-50-42(14-12-10-2)36-54(52-33-31-49(41)55(51)56(50)52)58(44-21-17-40(8)18-22-44)46-25-29-48(30-26-46)60-38(5)6;1-33-11-15-35(16-12-33)53(37-19-23-39(55-9)24-20-37)47-31-45(51(3,4)5)41-28-30-44-48(32-46(52(6,7)8)42-27-29-43(47)49(41)50(42)44)54(36-17-13-34(2)14-18-36)38-21-25-40(56-10)26-22-38;2*1-7-9-11-37-33-49(53(39-17-13-35(3)14-18-39)41-21-25-43(55-5)26-22-41)47-32-30-46-38(12-10-8-2)34-50(48-31-29-45(37)51(47)52(46)48)54(40-19-15-36(4)16-20-40)42-23-27-44(56-6)28-24-42;1-29-7-11-33(12-8-29)47(35-15-19-37(49-5)20-16-35)43-27-31(3)39-24-26-42-44(28-32(4)40-23-25-41(43)45(39)46(40)42)48(34-13-9-30(2)10-14-34)36-17-21-38(50-6)22-18-36/h17-36,39-40H,7-16,37-38H2,1-6H3;15-38H,9-14H2,1-8H3;11-32H,1-10H3;2*13-34H,7-12H2,1-6H3;7-28H,1-6H3.
What are the key properties of 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine?
1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine has a molecular weight of 4478.11 g/mol, XLogP of 90.80, 80 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(4-butoxyphenyl)-3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-methoxyphenyl)-3,8-dimethyl-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;bis(3,8-dibutyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine);3,8-ditert-butyl-1-N,6-N-bis(4-methoxyphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;3,8-dibutyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-bis(4-propan-2-yloxyphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 160963806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).