8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine

C30H21N3O — CID 126596844

IUPAC8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3oc4ccc(N)cc4c3c2)c1
InChIInChI=1S/C30H21N3O/c31-19-10-12-28(33-26-7-3-1-5-21(26)22-6-2-4-8-27(22)33)23(16-19)18-9-13-29-24(15-18)25-17-20(32)11-14-30(25)34-29/h1-17H,31-32H2
InChIKeyMADPDABBYGJXMM-UHFFFAOYSA-N
MW439.52 g/mol
LogP7.51
Rot. Bonds2

About 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine

8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine (PubChem CID 126596844) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine
PubChem CID126596844
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3oc4ccc(N)cc4c3c2)c1
InChIInChI=1S/C30H21N3O/c31-19-10-12-28(33-26-7-3-1-5-21(26)22-6-2-4-8-27(22)33)23(16-19)18-9-13-29-24(15-18)25-17-20(32)11-14-30(25)34-29/h1-17H,31-32H2
InChIKeyMADPDABBYGJXMM-UHFFFAOYSA-N
XLogP7.51
TPSA70.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 139565903
9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303494
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
9-[16-[2,4,5-tris(16-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-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147302
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
dibenzofuran-2-amine
CID 19405
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
9-(2-dibenzofuran-2-ylphenyl)-3,6-bis(3,5-dimethylphenyl)carbazole
CID 169284782
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
CID 175082744
CID 175082744
9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
CID 139303631

Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine (CID 126596844) is 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine is Nc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3oc4ccc(N)cc4c3c2)c1.
What is the InChIKey of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine?
The InChIKey is MADPDABBYGJXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c31-19-10-12-28(33-26-7-3-1-5-21(26)22-6-2-4-8-27(22)33)23(16-19)18-9-13-29-24(15-18)25-17-20(32)11-14-30(25)34-29/h1-17H,31-32H2.
What are the key properties of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine?
8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine has a molecular weight of 439.52 g/mol, XLogP of 7.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 126596844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).