4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid

C41H49N5O2 — CID 132533365

IUPAC4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid
SMILESCCCCCCCCn1c2ccccc2c2c(/N=N/c3ccc(C(=O)O)cc3)c3c(c(N)c21)c1ccccc1n3CCCCCCCC
InChIInChI=1S/C41H49N5O2/c1-3-5-7-9-11-17-27-45-34-22-16-14-20-32(34)36-38(44-43-30-25-23-29(24-26-30)41(47)48)40-35(37(42)39(36)45)31-19-13-15-21-33(31)46(40)28-18-12-10-8-6-4-2/h13-16,19-26H,3-12,17-18,27-28,42H2,1-2H3,(H,47,48)/b44-43+
InChIKeyXYQDDNJLGNEDQG-VGFSZAGXSA-N
MW643.88 g/mol
LogP12.32
Rot. Bonds17

About 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid

4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid (PubChem CID 132533365) has the molecular formula C41H49N5O2 and a molecular weight of 643.88 g/mol. Its IUPAC name is 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid
PubChem CID132533365
Molecular FormulaC41H49N5O2
Molecular Weight643.88 g/mol
Exact Mass643.39
IUPAC Name4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid
SMILESCCCCCCCCn1c2ccccc2c2c(/N=N/c3ccc(C(=O)O)cc3)c3c(c(N)c21)c1ccccc1n3CCCCCCCC
InChIInChI=1S/C41H49N5O2/c1-3-5-7-9-11-17-27-45-34-22-16-14-20-32(34)36-38(44-43-30-25-23-29(24-26-30)41(47)48)40-35(37(42)39(36)45)31-19-13-15-21-33(31)46(40)28-18-12-10-8-6-4-2/h13-16,19-26H,3-12,17-18,27-28,42H2,1-2H3,(H,47,48)/b44-43+
InChIKeyXYQDDNJLGNEDQG-VGFSZAGXSA-N
XLogP12.32
TPSA97.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.88
LogP ≤ 512.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
CID 135692431
benzene;9-octylcarbazole
CID 175067369
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
4-(9-octylcarbazol-3-yl)oxycarbonylbenzoic acid
CID 175213708
23-azido-9,18,27-trihexyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-5,14-dicarboxylic acid
CID 164708997
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
butyl 4-[[4-(2-carbazol-9-ylethoxy)phenyl]diazenyl]benzoate
CID 15503762
9-octylcarbazol-1-ol
CID 160567195
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
3-octadecanoyl-1-octylindole-2-carboxylic acid
CID 10626256
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid?
The IUPAC name of 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid (CID 132533365) is 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid is CCCCCCCCn1c2ccccc2c2c(/N=N/c3ccc(C(=O)O)cc3)c3c(c(N)c21)c1ccccc1n3CCCCCCCC.
What is the InChIKey of 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid?
The InChIKey is XYQDDNJLGNEDQG-VGFSZAGXSA-N. The full InChI is InChI=1S/C41H49N5O2/c1-3-5-7-9-11-17-27-45-34-22-16-14-20-32(34)36-38(44-43-30-25-23-29(24-26-30)41(47)48)40-35(37(42)39(36)45)31-19-13-15-21-33(31)46(40)28-18-12-10-8-6-4-2/h13-16,19-26H,3-12,17-18,27-28,42H2,1-2H3,(H,47,48)/b44-43+.
What are the key properties of 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid?
4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid has a molecular weight of 643.88 g/mol, XLogP of 12.32, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid is sourced from PubChem (CID 132533365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).