benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine

C24H24N4 — CID 67959062

IUPACbenzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
SMILESNc1ccc(N(c2ccccc2)c2ccccc2)cc1.Nc1ccc(N)cc1
InChIInChI=1S/C18H16N2.C6H8N2/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;7-5-1-2-6(8)4-3-5/h1-14H,19H2;1-4H,7-8H2
InChIKeyJWLZLGFZYKUMJC-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.59
Rot. Bonds3

About benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine

benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 67959062) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Namebenzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID67959062
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Namebenzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
SMILESNc1ccc(N(c2ccccc2)c2ccccc2)cc1.Nc1ccc(N)cc1
InChIInChI=1S/C18H16N2.C6H8N2/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;7-5-1-2-6(8)4-3-5/h1-14H,19H2;1-4H,7-8H2
InChIKeyJWLZLGFZYKUMJC-UHFFFAOYSA-N
XLogP5.59
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
4-N-(4-aminophenyl)-4-N-[4-[4-[4-(N-phenylanilino)phenyl]piperazin-1-yl]phenyl]benzene-1,4-diamine
CID 178074679
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
3-(4-aminophenyl)-N,N-diphenylaniline
CID 155173574
N,N-diphenylaniline;silane
CID 131739129
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine (CID 67959062) is benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine is Nc1ccc(N(c2ccccc2)c2ccccc2)cc1.Nc1ccc(N)cc1.
What is the InChIKey of benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is JWLZLGFZYKUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.C6H8N2/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;7-5-1-2-6(8)4-3-5/h1-14H,19H2;1-4H,7-8H2.
What are the key properties of benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine?
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 368.48 g/mol, XLogP of 5.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 67959062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).