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

C204H180N6O6 — CID 158585329

IUPAC1-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
SMILESCCCCOc1ccc(CCCOc2ccc(N(c3ccc(C)cc3)c3ccc4ccc5c(N(c6ccc(C)cc6)c6ccc(OCCCc7ccc(OCCCC)cc7)cc6)ccc6ccc3c4c65)cc2)cc1.Cc1ccc(N(c2ccc(CCCc3c4ccccc4cc4ccccc34)cc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc(CCCc6c7ccccc7cc7ccccc67)cc5)ccc5ccc2c3c54)cc1.Cc1ccc(N(c2ccc(OCCCc3ccccc3)cc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc(OCCCc6ccccc6)cc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C76H60N2.C68H68N2O4.C60H52N2O2/c1-51-25-37-61(38-26-51)77(63-41-29-53(30-42-63)13-11-23-69-65-19-7-3-15-57(65)49-58-16-4-8-20-66(58)69)73-47-35-55-34-46-72-74(48-36-56-33-45-71(73)75(55)76(56)72)78(62-39-27-52(2)28-40-62)64-43-31-54(32-44-64)14-12-24-70-67-21-9-5-17-59(67)50-60-18-6-10-22-68(60)70;1-5-7-45-71-59-33-17-51(18-34-59)11-9-47-73-61-37-29-57(30-38-61)69(55-25-13-49(3)14-26-55)65-43-23-53-22-42-64-66(44-24-54-21-41-63(65)67(53)68(54)64)70(56-27-15-50(4)16-28-56)58-31-39-62(40-32-58)74-48-10-12-52-19-35-60(36-20-52)72-46-8-6-2;1-43-17-25-49(26-18-43)61(51-29-33-53(34-30-51)63-41-9-15-45-11-5-3-6-12-45)57-39-23-47-22-38-56-58(40-24-48-21-37-55(57)59(47)60(48)56)62(50-27-19-44(2)20-28-50)52-31-35-54(36-32-52)64-42-10-16-46-13-7-4-8-14-46/h3-10,15-22,25-50H,11-14,23-24H2,1-2H3;13-44H,5-12,45-48H2,1-4H3;3-8,11-14,17-40H,9-10,15-16,41-42H2,1-2H3
InChIKeyHTTHSCFRJJRDMS-UHFFFAOYSA-N
MW2811.72 g/mol
LogP55.79
Rot. Bonds54

About 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

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 (PubChem CID 158585329) has the molecular formula C204H180N6O6 and a molecular weight of 2811.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158585329
Molecular FormulaC204H180N6O6
Molecular Weight2811.72 g/mol
Exact Mass2809.40
IUPAC Name1-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
SMILESCCCCOc1ccc(CCCOc2ccc(N(c3ccc(C)cc3)c3ccc4ccc5c(N(c6ccc(C)cc6)c6ccc(OCCCc7ccc(OCCCC)cc7)cc6)ccc6ccc3c4c65)cc2)cc1.Cc1ccc(N(c2ccc(CCCc3c4ccccc4cc4ccccc34)cc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc(CCCc6c7ccccc7cc7ccccc67)cc5)ccc5ccc2c3c54)cc1.Cc1ccc(N(c2ccc(OCCCc3ccccc3)cc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc(OCCCc6ccccc6)cc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C76H60N2.C68H68N2O4.C60H52N2O2/c1-51-25-37-61(38-26-51)77(63-41-29-53(30-42-63)13-11-23-69-65-19-7-3-15-57(65)49-58-16-4-8-20-66(58)69)73-47-35-55-34-46-72-74(48-36-56-33-45-71(73)75(55)76(56)72)78(62-39-27-52(2)28-40-62)64-43-31-54(32-44-64)14-12-24-70-67-21-9-5-17-59(67)50-60-18-6-10-22-68(60)70;1-5-7-45-71-59-33-17-51(18-34-59)11-9-47-73-61-37-29-57(30-38-61)69(55-25-13-49(3)14-26-55)65-43-23-53-22-42-64-66(44-24-54-21-41-63(65)67(53)68(54)64)70(56-27-15-50(4)16-28-56)58-31-39-62(40-32-58)74-48-10-12-52-19-35-60(36-20-52)72-46-8-6-2;1-43-17-25-49(26-18-43)61(51-29-33-53(34-30-51)63-41-9-15-45-11-5-3-6-12-45)57-39-23-47-22-38-56-58(40-24-48-21-37-55(57)59(47)60(48)56)62(50-27-19-44(2)20-28-50)52-31-35-54(36-32-52)64-42-10-16-46-13-7-4-8-14-46/h3-10,15-22,25-50H,11-14,23-24H2,1-2H3;13-44H,5-12,45-48H2,1-4H3;3-8,11-14,17-40H,9-10,15-16,41-42H2,1-2H3
InChIKeyHTTHSCFRJJRDMS-UHFFFAOYSA-N
XLogP55.79
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds54
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002811.72
LogP ≤ 555.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-N,6-N-bis(4-butoxy-2,6-dimethylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
CID 59309025
4-N,4-N-bis[4-(4-butylphenyl)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;4-N,4-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;2-N,6-N-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-ylnaphthalene-2,6-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylphenanthrene-2,7-diamine;4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-methyl-N-(4-methylphenyl)-N-[4-(6-phenanthren-2-ylnaphthalen-2-yl)phenyl]aniline
CID 162053979
N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
CID 59836976
4-(4-butoxyphenyl)-5-(4-methylphenyl)-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine
CID 118601967
8-N,8-N,22-N,22-N-tetrakis(4-butoxyphenyl)-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
CID 58890322
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
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 58890314
3-[4-[4-(4-methyl-N-pyren-1-ylanilino)phenyl]phenoxy]propane-1,2-diol
CID 59739434
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-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
CID 58890363

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCOc1ccc(CCCOc2ccc(N(c3ccc(C)cc3)c3ccc4ccc5c(N(c6ccc(C)cc6)c6ccc(OCCCc7ccc(OCCCC)cc7)cc6)ccc6ccc3c4c65)cc2)cc1.Cc1ccc(N(c2ccc(CCCc3c4ccccc4cc4ccccc34)cc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc(CCCc6c7ccccc7cc7ccccc67)cc5)ccc5ccc2c3c54)cc1.Cc1ccc(N(c2ccc(OCCCc3ccccc3)cc2)c2ccc3ccc4c(N(c5ccc(C)cc5)c5ccc(OCCCc6ccccc6)cc5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 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?
The InChIKey is HTTHSCFRJJRDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N2.C68H68N2O4.C60H52N2O2/c1-51-25-37-61(38-26-51)77(63-41-29-53(30-42-63)13-11-23-69-65-19-7-3-15-57(65)49-58-16-4-8-20-66(58)69)73-47-35-55-34-46-72-74(48-36-56-33-45-71(73)75(55)76(56)72)78(62-39-27-52(2)28-40-62)64-43-31-54(32-44-64)14-12-24-70-67-21-9-5-17-59(67)50-60-18-6-10-22-68(60)70;1-5-7-45-71-59-33-17-51(18-34-59)11-9-47-73-61-37-29-57(30-38-61)69(55-25-13-49(3)14-26-55)65-43-23-53-22-42-64-66(44-24-54-21-41-63(65)67(53)68(54)64)70(56-27-15-50(4)16-28-56)58-31-39-62(40-32-58)74-48-10-12-52-19-35-60(36-20-52)72-46-8-6-2;1-43-17-25-49(26-18-43)61(51-29-33-53(34-30-51)63-41-9-15-45-11-5-3-6-12-45)57-39-23-47-22-38-56-58(40-24-48-21-37-55(57)59(47)60(48)56)62(50-27-19-44(2)20-28-50)52-31-35-54(36-32-52)64-42-10-16-46-13-7-4-8-14-46/h3-10,15-22,25-50H,11-14,23-24H2,1-2H3;13-44H,5-12,45-48H2,1-4H3;3-8,11-14,17-40H,9-10,15-16,41-42H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2811.72 g/mol, XLogP of 55.79, 54 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158585329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).