4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine

C27H27N3 — CID 21276065

IUPAC4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
SMILESCCN(c1ccc(C)cc1)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C27H27N3/c1-3-30(26-17-9-21(2)10-18-26)27-19-15-25(16-20-27)29-24-13-11-23(12-14-24)28-22-7-5-4-6-8-22/h4-20,28-29H,3H2,1-2H3
InChIKeyMDDSZNNBGWSEPD-UHFFFAOYSA-N
MW393.53 g/mol
LogP7.64
Rot. Bonds7

About 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine

4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 21276065) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
PubChem CID21276065
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
SMILESCCN(c1ccc(C)cc1)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C27H27N3/c1-3-30(26-17-9-21(2)10-18-26)27-19-15-25(16-20-27)29-24-13-11-23(12-14-24)28-22-7-5-4-6-8-22/h4-20,28-29H,3H2,1-2H3
InChIKeyMDDSZNNBGWSEPD-UHFFFAOYSA-N
XLogP7.64
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
4-methyl-N-phenylaniline;[4-(N-phenylanilino)phenyl]boronic acid;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 159104775
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 18669796
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
1-N-[4-[4-(4-methylanilino)-N-phenanthren-4-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338180

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine (CID 21276065) is 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine is CCN(c1ccc(C)cc1)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The InChIKey is MDDSZNNBGWSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-3-30(26-17-9-21(2)10-18-26)27-19-15-25(16-20-27)29-24-13-11-23(12-14-24)28-22-7-5-4-6-8-22/h4-20,28-29H,3H2,1-2H3.
What are the key properties of 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 393.53 g/mol, XLogP of 7.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 21276065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).