4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline

C27H23NO — CID 144816083

IUPAC4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline
SMILESC=C/C=C\C=C(C)\C=C/c1cc(-c2ccc3oc4ccccc4c3c2)ccc1N
InChIInChI=1S/C27H23NO/c1-3-4-5-8-19(2)11-12-22-17-20(13-15-25(22)28)21-14-16-27-24(18-21)23-9-6-7-10-26(23)29-27/h3-18H,1,28H2,2H3/b5-4-,12-11-,19-8+
InChIKeyDHDXNULDFBBFCY-FKKDXBSDSA-N
MW377.49 g/mol
LogP7.54
Rot. Bonds5

About 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline

4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline (PubChem CID 144816083) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline
PubChem CID144816083
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline
SMILESC=C/C=C\C=C(C)\C=C/c1cc(-c2ccc3oc4ccccc4c3c2)ccc1N
InChIInChI=1S/C27H23NO/c1-3-4-5-8-19(2)11-12-22-17-20(13-15-25(22)28)21-14-16-27-24(18-21)23-9-6-7-10-26(23)29-27/h3-18H,1,28H2,2H3/b5-4-,12-11-,19-8+
InChIKeyDHDXNULDFBBFCY-FKKDXBSDSA-N
XLogP7.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Dibenzofuranamine
CID 19405
3-Dibenzofuranamine
CID 20061
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CID 2841012
4-(1-Benzofuran-2-yl)aniline
CID 720692
N,N-dimethyl-4-(2-(5-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548007
2-(2-Aminophenyl)-6-methylchromen-4-one
CID 11107795
2,2,4-Trimethyl-1,2-dihydrobenzofuro[3,2-g]quinoline
CID 15458735
1,3,3-Trimethyl-3,4-dihydrobenzofuro[2,3-f]quinoline
CID 15458736
5-Benzofurancarboximidamide, 2-(4-aminophenyl)-
CID 47976
4-(2-(benzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548342
4H-1-Benzopyran-4-one, 2-(4-aminophenyl)-6-methyl-
CID 10999496

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline?
The IUPAC name of 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline (CID 144816083) is 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline.
What is the SMILES notation for 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline?
The canonical SMILES for 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline is C=C/C=C\C=C(C)\C=C/c1cc(-c2ccc3oc4ccccc4c3c2)ccc1N.
What is the InChIKey of 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline?
The InChIKey is DHDXNULDFBBFCY-FKKDXBSDSA-N. The full InChI is InChI=1S/C27H23NO/c1-3-4-5-8-19(2)11-12-22-17-20(13-15-25(22)28)21-14-16-27-24(18-21)23-9-6-7-10-26(23)29-27/h3-18H,1,28H2,2H3/b5-4-,12-11-,19-8+.
What are the key properties of 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline?
4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline has a molecular weight of 377.49 g/mol, XLogP of 7.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-2-[(1Z,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]aniline is sourced from PubChem (CID 144816083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).