4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

C30H36N6 — CID 14437588

IUPAC4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2c(/C=N/N=C/c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12
InChIInChI=1S/C30H36N6/c1-33(2)25-13-9-11-23-21(15-17-27(29(23)25)35(5)6)19-31-32-20-22-16-18-28(36(7)8)30-24(22)12-10-14-26(30)34(3)4/h9-20H,1-8H3/b31-19+,32-20+
InChIKeyKYZFSQLQOGESRA-GKTLAHRSSA-N
MW480.66 g/mol
LogP5.71
Rot. Bonds7

About 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (PubChem CID 14437588) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
PubChem CID14437588
Molecular FormulaC30H36N6
Molecular Weight480.66 g/mol
Exact Mass480.30
IUPAC Name4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2c(/C=N/N=C/c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12
InChIInChI=1S/C30H36N6/c1-33(2)25-13-9-11-23-21(15-17-27(29(23)25)35(5)6)19-31-32-20-22-16-18-28(36(7)8)30-24(22)12-10-14-26(30)34(3)4/h9-20H,1-8H3/b31-19+,32-20+
InChIKeyKYZFSQLQOGESRA-GKTLAHRSSA-N
XLogP5.71
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,8-N,8-N,4-pentamethylnaphthalene-1,8-diamine
CID 15890494
(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol
CID 15890498
(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
CID 2327108
(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine
CID 139091981
1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-trifluoroethanone
CID 2327126
1-N,1-N,8-N,8-N-tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1,8-diamine
CID 56924972
4,5-bis(dipropylamino)naphthalene-1-carbaldehyde
CID 87392151
4-iodo-N,N,8-trimethylnaphthalen-1-amine
CID 135022993
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
bis[2,6-bis(dimethylamino)phenyl]tin
CID 11282229
1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine
CID 14024666

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The IUPAC name of 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (CID 14437588) is 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.
What is the SMILES notation for 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The canonical SMILES for 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is CN(C)c1cccc2c(/C=N/N=C/c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12.
What is the InChIKey of 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The InChIKey is KYZFSQLQOGESRA-GKTLAHRSSA-N. The full InChI is InChI=1S/C30H36N6/c1-33(2)25-13-9-11-23-21(15-17-27(29(23)25)35(5)6)19-31-32-20-22-16-18-28(36(7)8)30-24(22)12-10-14-26(30)34(3)4/h9-20H,1-8H3/b31-19+,32-20+.
What are the key properties of 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine has a molecular weight of 480.66 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is sourced from PubChem (CID 14437588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).