N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline

C179H150N4O — CID 90960262

IUPACN,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1.COc1ccc(Nc2ccc(C=CC=C(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C51H45N.C50H39N.C47H37N.C31H29NO/c1-36-6-20-43(21-7-36)50(44-22-8-37(2)9-23-44)34-41-16-30-48(31-17-41)52(47-28-14-40(5)15-29-47)49-32-18-42(19-33-49)35-51(45-24-10-38(3)11-25-45)46-26-12-39(4)13-27-46;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;1-36-22-28-43(29-23-36)48(44-30-24-37(25-31-44)34-46(39-14-6-2-7-15-39)40-16-8-3-9-17-40)45-32-26-38(27-33-45)35-47(41-18-10-4-11-19-41)42-20-12-5-13-21-42;1-23-7-13-26(14-8-23)31(27-15-9-24(2)10-16-27)6-4-5-25-11-17-28(18-12-25)32-29-19-21-30(33-3)22-20-29/h6-35H,1-5H3;1-39H;2-35H,1H3;4-22,32H,1-3H3
InChIKeyMJBIVGXTSJZUNE-UHFFFAOYSA-N
MW2373.20 g/mol
LogP48.17
Rot. Bonds36

About N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline

N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline (PubChem CID 90960262) has the molecular formula C179H150N4O and a molecular weight of 2373.20 g/mol. Its IUPAC name is N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline
PubChem CID90960262
Molecular FormulaC179H150N4O
Molecular Weight2373.20 g/mol
Exact Mass2371.18
IUPAC NameN,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1.COc1ccc(Nc2ccc(C=CC=C(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C51H45N.C50H39N.C47H37N.C31H29NO/c1-36-6-20-43(21-7-36)50(44-22-8-37(2)9-23-44)34-41-16-30-48(31-17-41)52(47-28-14-40(5)15-29-47)49-32-18-42(19-33-49)35-51(45-24-10-38(3)11-25-45)46-26-12-39(4)13-27-46;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;1-36-22-28-43(29-23-36)48(44-30-24-37(25-31-44)34-46(39-14-6-2-7-15-39)40-16-8-3-9-17-40)45-32-26-38(27-33-45)35-47(41-18-10-4-11-19-41)42-20-12-5-13-21-42;1-23-7-13-26(14-8-23)31(27-15-9-24(2)10-16-27)6-4-5-25-11-17-28(18-12-25)32-29-19-21-30(33-3)22-20-29/h6-35H,1-5H3;1-39H;2-35H,1H3;4-22,32H,1-3H3
InChIKeyMJBIVGXTSJZUNE-UHFFFAOYSA-N
XLogP48.17
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds36
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002373.20
LogP ≤ 548.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline with MolForge

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Related Compounds

4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N,N-bis(4-methoxyphenyl)aniline
CID 87385829
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
N-[2,2-bis(4-methylphenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517965
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxy-2-methylphenyl)naphthalen-1-amine
CID 88863961
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[2,2-bis(4-methylphenyl)ethenyl]-N-(4-methoxyphenyl)aniline
CID 59086916

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline?
The IUPAC name of N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline (CID 90960262) is N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline.
What is the SMILES notation for N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline?
The canonical SMILES for N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline is C(=Cc1ccc(N(c2ccccc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1.COc1ccc(Nc2ccc(C=CC=C(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline?
The InChIKey is MJBIVGXTSJZUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N.C50H39N.C47H37N.C31H29NO/c1-36-6-20-43(21-7-36)50(44-22-8-37(2)9-23-44)34-41-16-30-48(31-17-41)52(47-28-14-40(5)15-29-47)49-32-18-42(19-33-49)35-51(45-24-10-38(3)11-25-45)46-26-12-39(4)13-27-46;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;1-36-22-28-43(29-23-36)48(44-30-24-37(25-31-44)34-46(39-14-6-2-7-15-39)40-16-8-3-9-17-40)45-32-26-38(27-33-45)35-47(41-18-10-4-11-19-41)42-20-12-5-13-21-42;1-23-7-13-26(14-8-23)31(27-15-9-24(2)10-16-27)6-4-5-25-11-17-28(18-12-25)32-29-19-21-30(33-3)22-20-29/h6-35H,1-5H3;1-39H;2-35H,1H3;4-22,32H,1-3H3.
What are the key properties of N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline?
N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline has a molecular weight of 2373.20 g/mol, XLogP of 48.17, 36 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 90960262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).