8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine

C30H25N3O — CID 139566045

IUPAC8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine
SMILESNc1ccc(-c2ccc3oc4c(c3c2)CC(N)C=C4)c(-n2c3c(c4ccccc42)CCC=C3)c1
InChIInChI=1S/C30H25N3O/c31-19-11-14-30-25(16-19)24-15-18(9-13-29(24)34-30)21-12-10-20(32)17-28(21)33-26-7-3-1-5-22(26)23-6-2-4-8-27(23)33/h1,3-5,7-15,17,19H,2,6,16,31-32H2
InChIKeyVFJNCFGTBZYKSY-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.48
Rot. Bonds2

About 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine

8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine (PubChem CID 139566045) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine.

Molecular Properties

Compound Name8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine
PubChem CID139566045
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC Name8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine
SMILESNc1ccc(-c2ccc3oc4c(c3c2)CC(N)C=C4)c(-n2c3c(c4ccccc42)CCC=C3)c1
InChIInChI=1S/C30H25N3O/c31-19-11-14-30-25(16-19)24-15-18(9-13-29(24)34-30)21-12-10-20(32)17-28(21)33-26-7-3-1-5-22(26)23-6-2-4-8-27(23)33/h1,3-5,7-15,17,19H,2,6,16,31-32H2
InChIKeyVFJNCFGTBZYKSY-UHFFFAOYSA-N
XLogP6.48
TPSA70.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.48
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

3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 163750237
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 174283920
6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 166003071
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
3-dibenzofuran-2-yl-9-[8-(2-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[8-[2-(9-phenylcarbazol-3-yl)phenyl]-8,9-dihydrodibenzofuran-2-yl]carbazole;3-[9-[8-(2-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[8-[2-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 158139841
8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine
CID 126596844
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 167280385
12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
CID 167029821
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680

Frequently Asked Questions

What is the IUPAC name of 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine?
The IUPAC name of 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine (CID 139566045) is 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine.
What is the SMILES notation for 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine?
The canonical SMILES for 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine is Nc1ccc(-c2ccc3oc4c(c3c2)CC(N)C=C4)c(-n2c3c(c4ccccc42)CCC=C3)c1.
What is the InChIKey of 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine?
The InChIKey is VFJNCFGTBZYKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O/c31-19-11-14-30-25(16-19)24-15-18(9-13-29(24)34-30)21-12-10-20(32)17-28(21)33-26-7-3-1-5-22(26)23-6-2-4-8-27(23)33/h1,3-5,7-15,17,19H,2,6,16,31-32H2.
What are the key properties of 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine?
8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine has a molecular weight of 443.55 g/mol, XLogP of 6.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine is sourced from PubChem (CID 139566045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).