(1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine

C47H32N2O2 — CID 144548891

IUPAC(1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine
SMILESC/C(=C\C(=C/N)n1c2ccccc2c2ccccc21)c1ccc2oc3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3c2c1
InChIInChI=1S/C47H32N2O2/c1-29(23-35(28-48)49-42-14-5-2-11-36(42)37-12-3-6-15-43(37)49)30-17-20-46-40(25-30)41-27-34(19-22-47(41)51-46)32-10-8-9-31(24-32)33-18-21-45-39(26-33)38-13-4-7-16-44(38)50-45/h2-28H,48H2,1H3/b29-23+,35-28+
InChIKeyAMWXVETUYDSZNR-GLVSUZOJSA-N
MW656.79 g/mol
LogP12.79
Rot. Bonds5

About (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine

(1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine (PubChem CID 144548891) has the molecular formula C47H32N2O2 and a molecular weight of 656.79 g/mol. Its IUPAC name is (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine
PubChem CID144548891
Molecular FormulaC47H32N2O2
Molecular Weight656.79 g/mol
Exact Mass656.25
IUPAC Name(1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine
SMILESC/C(=C\C(=C/N)n1c2ccccc2c2ccccc21)c1ccc2oc3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3c2c1
InChIInChI=1S/C47H32N2O2/c1-29(23-35(28-48)49-42-14-5-2-11-36(42)37-12-3-6-15-43(37)49)30-17-20-46-40(25-30)41-27-34(19-22-47(41)51-46)32-10-8-9-31(24-32)33-18-21-45-39(26-33)38-13-4-7-16-44(38)50-45/h2-28H,48H2,1H3/b29-23+,35-28+
InChIKeyAMWXVETUYDSZNR-GLVSUZOJSA-N
XLogP12.79
TPSA57.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 512.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene
CID 144788060
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine (CID 144548891) is (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine is C/C(=C\C(=C/N)n1c2ccccc2c2ccccc21)c1ccc2oc3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3c2c1.
What is the InChIKey of (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine?
The InChIKey is AMWXVETUYDSZNR-GLVSUZOJSA-N. The full InChI is InChI=1S/C47H32N2O2/c1-29(23-35(28-48)49-42-14-5-2-11-36(42)37-12-3-6-15-43(37)49)30-17-20-46-40(25-30)41-27-34(19-22-47(41)51-46)32-10-8-9-31(24-32)33-18-21-45-39(26-33)38-13-4-7-16-44(38)50-45/h2-28H,48H2,1H3/b29-23+,35-28+.
What are the key properties of (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine?
(1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine has a molecular weight of 656.79 g/mol, XLogP of 12.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine is sourced from PubChem (CID 144548891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).