5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine

C30H28N4O2 — CID 11691431

IUPAC5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine
SMILESCC1(C)c2cccc(N)c2Oc2c(/N=N/c3cccc4c3Oc3c(N)cccc3C4(C)C)cccc21
InChIInChI=1S/C30H28N4O2/c1-29(2)17-9-5-13-21(31)25(17)35-27-19(29)11-7-15-23(27)33-34-24-16-8-12-20-28(24)36-26-18(30(20,3)4)10-6-14-22(26)32/h5-16H,31-32H2,1-4H3/b34-33+
InChIKeyIRCLETPFCPYLBT-JEIPZWNWSA-N
MW476.58 g/mol
LogP8.13
Rot. Bonds2

About 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine

5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine (PubChem CID 11691431) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine.

Molecular Properties

Compound Name5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine
PubChem CID11691431
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine
SMILESCC1(C)c2cccc(N)c2Oc2c(/N=N/c3cccc4c3Oc3c(N)cccc3C4(C)C)cccc21
InChIInChI=1S/C30H28N4O2/c1-29(2)17-9-5-13-21(31)25(17)35-27-19(29)11-7-15-23(27)33-34-24-16-8-12-20-28(24)36-26-18(30(20,3)4)10-6-14-22(26)32/h5-16H,31-32H2,1-4H3/b34-33+
InChIKeyIRCLETPFCPYLBT-JEIPZWNWSA-N
XLogP8.13
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.13
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'}

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Related Compounds

4,5-diiodo-9,9-dimethylxanthene
CID 10813897
2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 155714935
5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene
CID 118081432
(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
CID 155935452
(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane
CID 66559430
10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
CID 147847135
2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline
CID 88707327
3-[5-[3-(dimethylamino)propyl]-9,9-dimethylxanthen-4-yl]-N,N-dimethylpropan-1-amine
CID 101055302
2-[(2-aminophenyl)diazenyl]-4-methylaniline
CID 118232962
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine
CID 146551012
ethanol;3-methyl-2-[(2-methylphenyl)diazenyl]aniline
CID 87488741

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine?
The IUPAC name of 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine (CID 11691431) is 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine.
What is the SMILES notation for 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine?
The canonical SMILES for 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine is CC1(C)c2cccc(N)c2Oc2c(/N=N/c3cccc4c3Oc3c(N)cccc3C4(C)C)cccc21.
What is the InChIKey of 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine?
The InChIKey is IRCLETPFCPYLBT-JEIPZWNWSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-29(2)17-9-5-13-21(31)25(17)35-27-19(29)11-7-15-23(27)33-34-24-16-8-12-20-28(24)36-26-18(30(20,3)4)10-6-14-22(26)32/h5-16H,31-32H2,1-4H3/b34-33+.
What are the key properties of 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine?
5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine has a molecular weight of 476.58 g/mol, XLogP of 8.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine is sourced from PubChem (CID 11691431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).