1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline

C300H264N8 — CID 160674877

IUPAC1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline
SMILESCCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c5ccc(C)c6cccc(c7cccc3c74)c65)cc2)cc1.CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c5cccc6c(C)ccc(c7cccc3c74)c65)cc2)cc1.CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc5c6ccc(C)c7cccc(c8cccc4c85)c76)cc3)cc2)cc1.CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc5c6cccc7c(C)ccc(c8cccc4c85)c76)cc3)cc2)cc1.Cc1ccc(N(c2ccc(-c3ccc4c5ccc(C)c6cccc(c7cccc3c74)c65)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc(-c3ccc4c5cccc6c(C)ccc(c7cccc3c74)c65)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/2C60H54N2.2C46H41N.2C44H37N/c1-5-7-11-43-20-28-47(29-21-43)61(46-26-17-41(3)18-27-46)50-34-36-51(37-35-50)62(48-30-22-44(23-31-48)12-8-6-2)49-32-24-45(25-33-49)53-39-40-58-55-15-9-13-52-42(4)19-38-57(59(52)55)56-16-10-14-54(53)60(56)58;1-5-7-11-43-20-28-47(29-21-43)61(46-26-17-41(3)18-27-46)50-34-36-51(37-35-50)62(48-30-22-44(23-31-48)12-8-6-2)49-32-24-45(25-33-49)53-39-40-58-57-38-19-42(4)52-13-9-15-55(59(52)57)56-16-10-14-54(53)60(56)58;1-28-14-19-34(20-15-28)47(45-30(3)26-33(27-31(45)4)46(5,6)7)35-21-17-32(18-22-35)37-24-25-42-39-12-8-10-36-29(2)16-23-41(43(36)39)40-13-9-11-38(37)44(40)42;1-28-14-19-34(20-15-28)47(45-30(3)26-33(27-31(45)4)46(5,6)7)35-21-17-32(18-22-35)37-24-25-42-41-23-16-29(2)36-10-8-12-39(43(36)41)40-13-9-11-38(37)44(40)42;1-5-29(3)31-15-21-34(22-16-31)45(33-19-12-28(2)13-20-33)35-23-17-32(18-24-35)37-26-27-42-39-10-6-8-36-30(4)14-25-41(43(36)39)40-11-7-9-38(37)44(40)42;1-5-29(3)31-15-21-34(22-16-31)45(33-19-12-28(2)13-20-33)35-23-17-32(18-24-35)37-26-27-42-41-25-14-30(4)36-8-6-10-39(43(36)41)40-11-7-9-38(37)44(40)42/h2*9-10,13-40H,5-8,11-12H2,1-4H3;2*8-27H,1-7H3;2*6-27,29H,5H2,1-4H3
InChIKeyRNKCMOJFTIDUAC-UHFFFAOYSA-N
MW3981.47 g/mol
LogP88.11
Rot. Bonds46

About 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline

1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline (PubChem CID 160674877) has the molecular formula C300H264N8 and a molecular weight of 3981.47 g/mol. Its IUPAC name is 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline
PubChem CID160674877
Molecular FormulaC300H264N8
Molecular Weight3981.47 g/mol
Exact Mass3978.09
IUPAC Name1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline
SMILESCCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c5ccc(C)c6cccc(c7cccc3c74)c65)cc2)cc1.CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c5cccc6c(C)ccc(c7cccc3c74)c65)cc2)cc1.CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc5c6ccc(C)c7cccc(c8cccc4c85)c76)cc3)cc2)cc1.CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc5c6cccc7c(C)ccc(c8cccc4c85)c76)cc3)cc2)cc1.Cc1ccc(N(c2ccc(-c3ccc4c5ccc(C)c6cccc(c7cccc3c74)c65)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc(-c3ccc4c5cccc6c(C)ccc(c7cccc3c74)c65)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/2C60H54N2.2C46H41N.2C44H37N/c1-5-7-11-43-20-28-47(29-21-43)61(46-26-17-41(3)18-27-46)50-34-36-51(37-35-50)62(48-30-22-44(23-31-48)12-8-6-2)49-32-24-45(25-33-49)53-39-40-58-55-15-9-13-52-42(4)19-38-57(59(52)55)56-16-10-14-54(53)60(56)58;1-5-7-11-43-20-28-47(29-21-43)61(46-26-17-41(3)18-27-46)50-34-36-51(37-35-50)62(48-30-22-44(23-31-48)12-8-6-2)49-32-24-45(25-33-49)53-39-40-58-57-38-19-42(4)52-13-9-15-55(59(52)57)56-16-10-14-54(53)60(56)58;1-28-14-19-34(20-15-28)47(45-30(3)26-33(27-31(45)4)46(5,6)7)35-21-17-32(18-22-35)37-24-25-42-39-12-8-10-36-29(2)16-23-41(43(36)39)40-13-9-11-38(37)44(40)42;1-28-14-19-34(20-15-28)47(45-30(3)26-33(27-31(45)4)46(5,6)7)35-21-17-32(18-22-35)37-24-25-42-41-23-16-29(2)36-10-8-12-39(43(36)41)40-13-9-11-38(37)44(40)42;1-5-29(3)31-15-21-34(22-16-31)45(33-19-12-28(2)13-20-33)35-23-17-32(18-24-35)37-26-27-42-39-10-6-8-36-30(4)14-25-41(43(36)39)40-11-7-9-38(37)44(40)42;1-5-29(3)31-15-21-34(22-16-31)45(33-19-12-28(2)13-20-33)35-23-17-32(18-24-35)37-26-27-42-41-25-14-30(4)36-8-6-10-39(43(36)41)40-11-7-9-38(37)44(40)42/h2*9-10,13-40H,5-8,11-12H2,1-4H3;2*8-27H,1-7H3;2*6-27,29H,5H2,1-4H3
InChIKeyRNKCMOJFTIDUAC-UHFFFAOYSA-N
XLogP88.11
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds46
Heavy Atoms308
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003981.47
LogP ≤ 588.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 157085046
4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;3-butyl-N-[4-[4-(N-(3-butylphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 123445678
2-N,7-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;9-(3,5-dihexylphenyl)-9-hexyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
CID 158844302
N-(4-butan-2-ylphenyl)-N-[4-[2-[9-(4-hexylphenyl)carbazol-2-yl]-4-methylphenyl]phenyl]-4-methylaniline
CID 164803658
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
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
N-[4-[5-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]-2-methylphenyl]phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 164803659
4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 90265201
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-methyl-1-(4-methyl-2-octylphenyl)-2-octylbenzene
CID 91206496
1-N,4-N-bis(4-butylphenyl)-4-N-(4-tert-butylphenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 70822243
4-[4-[2-[4-[4-[1-[4-[4-(4-butan-2-yl-N-methylanilino)phenyl]phenyl]-1-[4-(4-methylphenyl)phenyl]propyl]phenyl]phenyl]propan-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-N-methylaniline;3-(4-butylphenyl)-N-[4-[4-[2-[4-[2-[4-[1-[4-[4-[3-(4-butylphenyl)-N-methylanilino]phenyl]phenyl]-3-methyl-1-[4-(4-methylphenyl)phenyl]butyl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]phenyl]-N-methylaniline
CID 161215892

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline (CID 160674877) is 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline is CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c5ccc(C)c6cccc(c7cccc3c74)c65)cc2)cc1.CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c5cccc6c(C)ccc(c7cccc3c74)c65)cc2)cc1.CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc5c6ccc(C)c7cccc(c8cccc4c85)c76)cc3)cc2)cc1.CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc5c6cccc7c(C)ccc(c8cccc4c85)c76)cc3)cc2)cc1.Cc1ccc(N(c2ccc(-c3ccc4c5ccc(C)c6cccc(c7cccc3c74)c65)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc(-c3ccc4c5cccc6c(C)ccc(c7cccc3c74)c65)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.
What is the InChIKey of 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is RNKCMOJFTIDUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H54N2.2C46H41N.2C44H37N/c1-5-7-11-43-20-28-47(29-21-43)61(46-26-17-41(3)18-27-46)50-34-36-51(37-35-50)62(48-30-22-44(23-31-48)12-8-6-2)49-32-24-45(25-33-49)53-39-40-58-55-15-9-13-52-42(4)19-38-57(59(52)55)56-16-10-14-54(53)60(56)58;1-5-7-11-43-20-28-47(29-21-43)61(46-26-17-41(3)18-27-46)50-34-36-51(37-35-50)62(48-30-22-44(23-31-48)12-8-6-2)49-32-24-45(25-33-49)53-39-40-58-57-38-19-42(4)52-13-9-15-55(59(52)57)56-16-10-14-54(53)60(56)58;1-28-14-19-34(20-15-28)47(45-30(3)26-33(27-31(45)4)46(5,6)7)35-21-17-32(18-22-35)37-24-25-42-39-12-8-10-36-29(2)16-23-41(43(36)39)40-13-9-11-38(37)44(40)42;1-28-14-19-34(20-15-28)47(45-30(3)26-33(27-31(45)4)46(5,6)7)35-21-17-32(18-22-35)37-24-25-42-41-23-16-29(2)36-10-8-12-39(43(36)41)40-13-9-11-38(37)44(40)42;1-5-29(3)31-15-21-34(22-16-31)45(33-19-12-28(2)13-20-33)35-23-17-32(18-24-35)37-26-27-42-39-10-6-8-36-30(4)14-25-41(43(36)39)40-11-7-9-38(37)44(40)42;1-5-29(3)31-15-21-34(22-16-31)45(33-19-12-28(2)13-20-33)35-23-17-32(18-24-35)37-26-27-42-41-25-14-30(4)36-8-6-10-39(43(36)41)40-11-7-9-38(37)44(40)42/h2*9-10,13-40H,5-8,11-12H2,1-4H3;2*8-27H,1-7H3;2*6-27,29H,5H2,1-4H3.
What are the key properties of 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline?
1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 3981.47 g/mol, XLogP of 88.11, 46 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-butylphenyl)-4-N-[4-(9-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(4-butylphenyl)-4-N-[4-(10-methylperylen-3-yl)phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(9-methylperylen-3-yl)phenyl]aniline;N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline;4-tert-butyl-2,6-dimethyl-N-[4-(9-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline;4-tert-butyl-2,6-dimethyl-N-[4-(10-methylperylen-3-yl)phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 160674877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).