1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine

C34H32N2O4 — CID 22900292

IUPAC1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cccc(N(c2ccc(N(c3cccc(OC)c3)c3cccc(OC)c3)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C34H32N2O4/c1-37-31-13-5-9-27(21-31)35(28-10-6-14-32(22-28)38-2)25-17-19-26(20-18-25)36(29-11-7-15-33(23-29)39-3)30-12-8-16-34(24-30)40-4/h5-24H,1-4H3
InChIKeyVWAVWVRBRNSVGN-UHFFFAOYSA-N
MW532.64 g/mol
LogP8.66
Rot. Bonds10

About 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine (PubChem CID 22900292) 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(3-methoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
PubChem CID22900292
Molecular FormulaC34H32N2O4
Molecular Weight532.64 g/mol
Exact Mass532.24
IUPAC Name1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cccc(N(c2ccc(N(c3cccc(OC)c3)c3cccc(OC)c3)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C34H32N2O4/c1-37-31-13-5-9-27(21-31)35(28-10-6-14-32(22-28)38-2)25-17-19-26(20-18-25)36(29-11-7-15-33(23-29)39-3)30-12-8-16-34(24-30)40-4/h5-24H,1-4H3
InChIKeyVWAVWVRBRNSVGN-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

3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
CID 58939356
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
CID 158446549
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
3-methoxy-N,N-disilylaniline
CID 149149494
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine (CID 22900292) is 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine is COc1cccc(N(c2ccc(N(c3cccc(OC)c3)c3cccc(OC)c3)cc2)c2cccc(OC)c2)c1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine?
The InChIKey is VWAVWVRBRNSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4/c1-37-31-13-5-9-27(21-31)35(28-10-6-14-32(22-28)38-2)25-17-19-26(20-18-25)36(29-11-7-15-33(23-29)39-3)30-12-8-16-34(24-30)40-4/h5-24H,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrakis(3-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(3-methoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 22900292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).