4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine

C44H36N4 — CID 67920222

IUPAC4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine
SMILESNc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2.C18H16N2/c27-21-15-17-22(18-16-21)28(25-13-5-9-19-7-1-3-11-23(19)25)26-14-6-10-20-8-2-4-12-24(20)26;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-18H,27H2;1-14,19-20H
InChIKeySDAZJOZSRJIEGB-UHFFFAOYSA-N
MW620.80 g/mol
LogP12.22
Rot. Bonds7

About 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine

4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 67920222) has the molecular formula C44H36N4 and a molecular weight of 620.80 g/mol. Its IUPAC name is 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID67920222
Molecular FormulaC44H36N4
Molecular Weight620.80 g/mol
Exact Mass620.29
IUPAC Name4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine
SMILESNc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2.C18H16N2/c27-21-15-17-22(18-16-21)28(25-13-5-9-19-7-1-3-11-23(19)25)26-14-6-10-20-8-2-4-12-24(20)26;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-18H,27H2;1-14,19-20H
InChIKeySDAZJOZSRJIEGB-UHFFFAOYSA-N
XLogP12.22
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 512.22
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

1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
4-N-[4-[4-(4-benzyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 143113018
8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 131979973
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
7-bromo-9,9-dimethyl-N,N-dinaphthalen-1-ylfluoren-2-amine;9,9-dimethyl-2-N,2-N-dinaphthalen-1-yl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;4-phenylaniline
CID 159499057
N,N-diphenylnaphthalen-1-amine
CID 11392281
4-N-[4-[4-[4-[(4-methylphenyl)methylamino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 102496562
naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 160961200
4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 4764079
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine (CID 67920222) is 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine is Nc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is SDAZJOZSRJIEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2.C18H16N2/c27-21-15-17-22(18-16-21)28(25-13-5-9-19-7-1-3-11-23(19)25)26-14-6-10-20-8-2-4-12-24(20)26;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-18H,27H2;1-14,19-20H.
What are the key properties of 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine?
4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 620.80 g/mol, XLogP of 12.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 67920222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).