N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine

C218H173N7 — CID 158041977

IUPACN-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
SMILESC(/C=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C/C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1)=C(c1ccccc1)c1ccccc1.C(/C=C/c1ccc(N(c2ccccc2)c2ccc(/C=C/C=C(c3ccccc3)c3ccccc3)cc2)cc1)=C(c1ccccc1)c1ccccc1.C(=C/c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)c2)cc1)\c1ccccc1.Cc1ccc(N(C2=CC=CCC2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H52N2.C62H48N2.C50H39N.C38H34N2/c1-7-23-57(24-8-1)67(58-25-9-2-10-26-58)35-19-21-53-37-45-63(46-38-53)69(61-31-15-5-16-32-61)65-49-41-55(42-50-65)56-43-51-66(52-44-56)70(62-33-17-6-18-34-62)64-47-39-54(40-48-64)22-20-36-68(59-27-11-3-12-28-59)60-29-13-4-14-30-60;1-5-14-49(15-6-1)24-28-53-32-40-57(41-33-53)63(58-42-34-54(35-43-58)29-25-50-16-7-2-8-17-50)61-22-13-23-62(48-61)64(59-44-36-55(37-45-59)30-26-51-18-9-3-10-19-51)60-46-38-56(39-47-60)31-27-52-20-11-4-12-21-52;1-6-20-42(21-7-1)49(43-22-8-2-9-23-43)30-16-18-40-32-36-47(37-33-40)51(46-28-14-5-15-29-46)48-38-34-41(35-39-48)19-17-31-50(44-24-10-3-11-25-44)45-26-12-4-13-27-45;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h1-52H;1-48H;1-39H;3-7,9-11,13-28H,8,12H2,1-2H3/b21-19+,22-20+;28-24+,29-25+,30-26+,31-27+;18-16+,19-17+;
InChIKeyFILPRFZPMYLJNE-MIUHAISRSA-N
MW2890.83 g/mol
LogP60.15
Rot. Bonds47

About N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine

N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine (PubChem CID 158041977) has the molecular formula C218H173N7 and a molecular weight of 2890.83 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
PubChem CID158041977
Molecular FormulaC218H173N7
Molecular Weight2890.83 g/mol
Exact Mass2888.38
IUPAC NameN-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
SMILESC(/C=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C/C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1)=C(c1ccccc1)c1ccccc1.C(/C=C/c1ccc(N(c2ccccc2)c2ccc(/C=C/C=C(c3ccccc3)c3ccccc3)cc2)cc1)=C(c1ccccc1)c1ccccc1.C(=C/c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)c2)cc1)\c1ccccc1.Cc1ccc(N(C2=CC=CCC2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H52N2.C62H48N2.C50H39N.C38H34N2/c1-7-23-57(24-8-1)67(58-25-9-2-10-26-58)35-19-21-53-37-45-63(46-38-53)69(61-31-15-5-16-32-61)65-49-41-55(42-50-65)56-43-51-66(52-44-56)70(62-33-17-6-18-34-62)64-47-39-54(40-48-64)22-20-36-68(59-27-11-3-12-28-59)60-29-13-4-14-30-60;1-5-14-49(15-6-1)24-28-53-32-40-57(41-33-53)63(58-42-34-54(35-43-58)29-25-50-16-7-2-8-17-50)61-22-13-23-62(48-61)64(59-44-36-55(37-45-59)30-26-51-18-9-3-10-19-51)60-46-38-56(39-47-60)31-27-52-20-11-4-12-21-52;1-6-20-42(21-7-1)49(43-22-8-2-9-23-43)30-16-18-40-32-36-47(37-33-40)51(46-28-14-5-15-29-46)48-38-34-41(35-39-48)19-17-31-50(44-24-10-3-11-25-44)45-26-12-4-13-27-45;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h1-52H;1-48H;1-39H;3-7,9-11,13-28H,8,12H2,1-2H3/b21-19+,22-20+;28-24+,29-25+,30-26+,31-27+;18-16+,19-17+;
InChIKeyFILPRFZPMYLJNE-MIUHAISRSA-N
XLogP60.15
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds47
Heavy Atoms225
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002890.83
LogP ≤ 560.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421
4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-[4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]phenyl]-N-phenylaniline
CID 91386727
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline
CID 123591975
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine (CID 158041977) is N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine is C(/C=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C/C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1)=C(c1ccccc1)c1ccccc1.C(/C=C/c1ccc(N(c2ccccc2)c2ccc(/C=C/C=C(c3ccccc3)c3ccccc3)cc2)cc1)=C(c1ccccc1)c1ccccc1.C(=C/c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)c2)cc1)\c1ccccc1.Cc1ccc(N(C2=CC=CCC2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The InChIKey is FILPRFZPMYLJNE-MIUHAISRSA-N. The full InChI is InChI=1S/C68H52N2.C62H48N2.C50H39N.C38H34N2/c1-7-23-57(24-8-1)67(58-25-9-2-10-26-58)35-19-21-53-37-45-63(46-38-53)69(61-31-15-5-16-32-61)65-49-41-55(42-50-65)56-43-51-66(52-44-56)70(62-33-17-6-18-34-62)64-47-39-54(40-48-64)22-20-36-68(59-27-11-3-12-28-59)60-29-13-4-14-30-60;1-5-14-49(15-6-1)24-28-53-32-40-57(41-33-53)63(58-42-34-54(35-43-58)29-25-50-16-7-2-8-17-50)61-22-13-23-62(48-61)64(59-44-36-55(37-45-59)30-26-51-18-9-3-10-19-51)60-46-38-56(39-47-60)31-27-52-20-11-4-12-21-52;1-6-20-42(21-7-1)49(43-22-8-2-9-23-43)30-16-18-40-32-36-47(37-33-40)51(46-28-14-5-15-29-46)48-38-34-41(35-39-48)19-17-31-50(44-24-10-3-11-25-44)45-26-12-4-13-27-45;1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h1-52H;1-48H;1-39H;3-7,9-11,13-28H,8,12H2,1-2H3/b21-19+,22-20+;28-24+,29-25+,30-26+,31-27+;18-16+,19-17+;.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine has a molecular weight of 2890.83 g/mol, XLogP of 60.15, 47 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 158041977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).