4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline

C24H16N2O — CID 175536388

IUPAC4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
SMILESNc1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C24H16N2O/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-14-24-20(13-22(19)26)18-6-2-4-8-23(18)27-24/h1-14H,25H2
InChIKeyPVRPUPRXCRZYCL-UHFFFAOYSA-N
MW348.41 g/mol
LogP6.27
Rot. Bonds1

About 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline

4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline (PubChem CID 175536388) has the molecular formula C24H16N2O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
PubChem CID175536388
Molecular FormulaC24H16N2O
Molecular Weight348.41 g/mol
Exact Mass348.13
IUPAC Name4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
SMILESNc1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C24H16N2O/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-14-24-20(13-22(19)26)18-6-2-4-8-23(18)27-24/h1-14H,25H2
InChIKeyPVRPUPRXCRZYCL-UHFFFAOYSA-N
XLogP6.27
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline?
The IUPAC name of 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline (CID 175536388) is 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline.
What is the SMILES notation for 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline?
The canonical SMILES for 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline is Nc1ccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1.
What is the InChIKey of 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline?
The InChIKey is PVRPUPRXCRZYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-14-24-20(13-22(19)26)18-6-2-4-8-23(18)27-24/h1-14H,25H2.
What are the key properties of 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline?
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline has a molecular weight of 348.41 g/mol, XLogP of 6.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline is sourced from PubChem (CID 175536388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).