3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine

C30H24N2O — CID 145448341

IUPAC3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine
SMILESC=C/C=C\C(=C)Nc1cccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C30H24N2O/c1-3-4-11-22(2)31-23-12-10-15-25(20-23)32(24-13-6-5-7-14-24)26-18-19-30-28(21-26)27-16-8-9-17-29(27)33-30/h3-21,31H,1-2H2/b11-4-
InChIKeyCLLWPPQPVIWDMK-WCIBSUBMSA-N
MW428.54 g/mol
LogP8.72
Rot. Bonds7

About 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine

3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine (PubChem CID 145448341) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine
PubChem CID145448341
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine
SMILESC=C/C=C\C(=C)Nc1cccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C30H24N2O/c1-3-4-11-22(2)31-23-12-10-15-25(20-23)32(24-13-6-5-7-14-24)26-18-19-30-28(21-26)27-16-8-9-17-29(27)33-30/h3-21,31H,1-2H2/b11-4-
InChIKeyCLLWPPQPVIWDMK-WCIBSUBMSA-N
XLogP8.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyldibenzofuran-2-amine
CID 58038469
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 58113431
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N-[4-[5-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 145067471
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine (CID 145448341) is 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine is C=C/C=C\C(=C)Nc1cccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine?
The InChIKey is CLLWPPQPVIWDMK-WCIBSUBMSA-N. The full InChI is InChI=1S/C30H24N2O/c1-3-4-11-22(2)31-23-12-10-15-25(20-23)32(24-13-6-5-7-14-24)26-18-19-30-28(21-26)27-16-8-9-17-29(27)33-30/h3-21,31H,1-2H2/b11-4-.
What are the key properties of 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine?
3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine has a molecular weight of 428.54 g/mol, XLogP of 8.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-1-N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 145448341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).