bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine

C163H140N6 — CID 160738154

IUPACbis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3cc(C)c(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3cc(C)c(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cc(C)c(N(c3ccc(C)cc3)c3ccc(/C=C/c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/2C55H48N2.C53H44N2/c2*1-39-10-18-44(19-11-39)22-24-46-26-34-49(35-27-46)56(48-30-14-41(3)15-31-48)54-38-43(5)55(53-9-7-6-8-52(53)54)57(50-32-16-42(4)17-33-50)51-36-28-47(29-37-51)25-23-45-20-12-40(2)13-21-45;1-39-18-30-46(31-19-39)54(47-34-26-44(27-35-47)24-22-42-12-6-4-7-13-42)52-38-41(3)53(51-17-11-10-16-50(51)52)55(48-32-20-40(2)21-33-48)49-36-28-45(29-37-49)25-23-43-14-8-5-9-15-43/h2*6-38H,1-5H3;4-38H,1-3H3/b3*24-22+,25-23+
InChIKeyRVFLPFBOTDAVOE-CMQHHXMTSA-N
MW2182.95 g/mol
LogP46.37
Rot. Bonds30

About bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine

bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine (PubChem CID 160738154) has the molecular formula C163H140N6 and a molecular weight of 2182.95 g/mol. Its IUPAC name is bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine.

Molecular Properties

Compound Namebis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine
PubChem CID160738154
Molecular FormulaC163H140N6
Molecular Weight2182.95 g/mol
Exact Mass2181.11
IUPAC Namebis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine
SMILESCc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3cc(C)c(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3cc(C)c(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cc(C)c(N(c3ccc(C)cc3)c3ccc(/C=C/c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/2C55H48N2.C53H44N2/c2*1-39-10-18-44(19-11-39)22-24-46-26-34-49(35-27-46)56(48-30-14-41(3)15-31-48)54-38-43(5)55(53-9-7-6-8-52(53)54)57(50-32-16-42(4)17-33-50)51-36-28-47(29-37-51)25-23-45-20-12-40(2)13-21-45;1-39-18-30-46(31-19-39)54(47-34-26-44(27-35-47)24-22-42-12-6-4-7-13-42)52-38-41(3)53(51-17-11-10-16-50(51)52)55(48-32-20-40(2)21-33-48)49-36-28-45(29-37-49)25-23-43-14-8-5-9-15-43/h2*6-38H,1-5H3;4-38H,1-3H3/b3*24-22+,25-23+
InChIKeyRVFLPFBOTDAVOE-CMQHHXMTSA-N
XLogP46.37
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002182.95
LogP ≤ 546.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine with MolForge

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Related Compounds

1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-phenylethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733622
9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 158909704
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine
CID 67099589
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 58177582
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
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine
CID 157486126
N-[4-[2-[4-[4-(3,5-dimethyl-N-phenanthren-9-ylanilino)phenyl]phenyl]ethenyl]phenyl]-N-(3,5-dimethylphenyl)phenanthren-9-amine
CID 91593050

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine?
The IUPAC name of bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine (CID 160738154) is bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine.
What is the SMILES notation for bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine?
The canonical SMILES for bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine is Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3cc(C)c(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3cc(C)c(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1.Cc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cc(C)c(N(c3ccc(C)cc3)c3ccc(/C=C/c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine?
The InChIKey is RVFLPFBOTDAVOE-CMQHHXMTSA-N. The full InChI is InChI=1S/2C55H48N2.C53H44N2/c2*1-39-10-18-44(19-11-39)22-24-46-26-34-49(35-27-46)56(48-30-14-41(3)15-31-48)54-38-43(5)55(53-9-7-6-8-52(53)54)57(50-32-16-42(4)17-33-50)51-36-28-47(29-37-51)25-23-45-20-12-40(2)13-21-45;1-39-18-30-46(31-19-39)54(47-34-26-44(27-35-47)24-22-42-12-6-4-7-13-42)52-38-41(3)53(51-17-11-10-16-50(51)52)55(48-32-20-40(2)21-33-48)49-36-28-45(29-37-49)25-23-43-14-8-5-9-15-43/h2*6-38H,1-5H3;4-38H,1-3H3/b3*24-22+,25-23+.
What are the key properties of bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine?
bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine has a molecular weight of 2182.95 g/mol, XLogP of 46.37, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine is sourced from PubChem (CID 160738154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).