1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine

C34H32N2O4 — CID 18996647

IUPAC1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C34H32N2O4/c1-37-31-17-9-27(10-18-31)35(28-11-19-32(38-2)20-12-28)25-5-7-26(8-6-25)36(29-13-21-33(39-3)22-14-29)30-15-23-34(40-4)24-16-30/h5-24H,1-4H3
InChIKeyTXWHKSPUCZONIE-UHFFFAOYSA-N
MW532.64 g/mol
LogP8.66
Rot. Bonds10

About 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine (PubChem CID 18996647) has the molecular formula C34H32N2O4 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
PubChem CID18996647
Molecular FormulaC34H32N2O4
Molecular Weight532.64 g/mol
Exact Mass532.24
IUPAC Name1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C34H32N2O4/c1-37-31-17-9-27(10-18-31)35(28-11-19-32(38-2)20-12-28)25-5-7-26(8-6-25)36(29-13-21-33(39-3)22-14-29)30-15-23-34(40-4)24-16-30/h5-24H,1-4H3
InChIKeyTXWHKSPUCZONIE-UHFFFAOYSA-N
XLogP8.66
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
1,1,2-trifluoro-2-(4-methoxyphenyl)hydrazine
CID 175078547
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 161292893
N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline
CID 101074590

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine (CID 18996647) is 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine?
The InChIKey is TXWHKSPUCZONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4/c1-37-31-17-9-27(10-18-31)35(28-11-19-32(38-2)20-12-28)25-5-7-26(8-6-25)36(29-13-21-33(39-3)22-14-29)30-15-23-34(40-4)24-16-30/h5-24H,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine has a molecular weight of 532.64 g/mol, XLogP of 8.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 18996647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).