7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine

C23H17N5O — CID 134332917

IUPAC7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine
SMILESC=NNc1ccc2c(c1)oc1cc(/N=N/c3c(N)ccc4ccccc34)ccc12
InChIInChI=1S/C23H17N5O/c1-25-26-15-7-9-18-19-10-8-16(13-22(19)29-21(18)12-15)27-28-23-17-5-3-2-4-14(17)6-11-20(23)24/h2-13,26H,1,24H2/b28-27+
InChIKeyVPBAEXULDNFTBI-BYYHNAKLSA-N
MW379.42 g/mol
LogP6.76
Rot. Bonds4

About 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine

7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine (PubChem CID 134332917) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine.

Molecular Properties

Compound Name7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine
PubChem CID134332917
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine
SMILESC=NNc1ccc2c(c1)oc1cc(/N=N/c3c(N)ccc4ccccc34)ccc12
InChIInChI=1S/C23H17N5O/c1-25-26-15-7-9-18-19-10-8-16(13-22(19)29-21(18)12-15)27-28-23-17-5-3-2-4-14(17)6-11-20(23)24/h2-13,26H,1,24H2/b28-27+
InChIKeyVPBAEXULDNFTBI-BYYHNAKLSA-N
XLogP6.76
TPSA88.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[25-[(2-aminonaphthalen-1-yl)diazenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]diazenyl]naphthalen-2-amine
CID 102505998
di(phenanthren-3-yl)diazene
CID 10786148
1-[(4-indol-1-ylphenyl)diazenyl]naphthalen-2-amine
CID 123928182
N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
CID 169315832
9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one
CID 71390217
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine
CID 175749533
potassium;3-bromodibenzofuran;hydride;methane;3-[3-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158202465
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran
CID 118488750
4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline
CID 168899493

Frequently Asked Questions

What is the IUPAC name of 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine?
The IUPAC name of 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine (CID 134332917) is 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine.
What is the SMILES notation for 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine?
The canonical SMILES for 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine is C=NNc1ccc2c(c1)oc1cc(/N=N/c3c(N)ccc4ccccc34)ccc12.
What is the InChIKey of 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine?
The InChIKey is VPBAEXULDNFTBI-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H17N5O/c1-25-26-15-7-9-18-19-10-8-16(13-22(19)29-21(18)12-15)27-28-23-17-5-3-2-4-14(17)6-11-20(23)24/h2-13,26H,1,24H2/b28-27+.
What are the key properties of 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine?
7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine has a molecular weight of 379.42 g/mol, XLogP of 6.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-aminonaphthalen-1-yl)diazenyl]-N-(methylideneamino)dibenzofuran-3-amine is sourced from PubChem (CID 134332917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).