10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine

C30H24BNO — CID 123996187

IUPAC10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine
SMILESCC=CC=C(C)N1c2ccccc2B(c2ccc3oc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C30H24BNO/c1-3-4-11-21(2)32-27-15-8-6-13-25(27)31(26-14-7-9-16-28(26)32)22-18-19-30-24(20-22)23-12-5-10-17-29(23)33-30/h3-20H,1-2H3
InChIKeyXHFBZHBALHVLRH-UHFFFAOYSA-N
MW425.34 g/mol
LogP6.03
Rot. Bonds3

About 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine

10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine (PubChem CID 123996187) has the molecular formula C30H24BNO and a molecular weight of 425.34 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine
PubChem CID123996187
Molecular FormulaC30H24BNO
Molecular Weight425.34 g/mol
Exact Mass425.20
IUPAC Name10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine
SMILESCC=CC=C(C)N1c2ccccc2B(c2ccc3oc4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C30H24BNO/c1-3-4-11-21(2)32-27-15-8-6-13-25(27)31(26-14-7-9-16-28(26)32)22-18-19-30-24(20-22)23-12-5-10-17-29(23)33-30/h3-20H,1-2H3
InChIKeyXHFBZHBALHVLRH-UHFFFAOYSA-N
XLogP6.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[10-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-1-yl]anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 130212413
2,16-diphenyl-12,20-dioxa-2-aza-16-boraheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),3,5(13),6,8,10,14,17,19(27),21,23,25-dodecaene
CID 142543986
9,18,27-tri(dibenzofuran-2-yl)-2,9,11,18,20,27-hexaza-1,10,19-triboraheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-3,5,7,12,14,16,21,23,25-nonaene
CID 159907413
2-[3-[(3Z,9Z)-7-methylidene-8-propan-2-ylidenedodeca-3,9,11-trien-5-yl]benzo[b][1]benzoborol-5-yl]dibenzofuran
CID 145357914
8-dibenzofuran-2-yl-14-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 153158219
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
CID 153329393
CID 153329393
8-dibenzofuran-2-yl-14-phenyl-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 147429385
2-prop-1-en-2-yldibenzofuran
CID 142504770
4-dibenzofuran-2-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317349
5,23-di(dibenzofuran-2-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene
CID 140834863
2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one
CID 145218621

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine?
The IUPAC name of 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine (CID 123996187) is 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine.
What is the SMILES notation for 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine?
The canonical SMILES for 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine is CC=CC=C(C)N1c2ccccc2B(c2ccc3oc4ccccc4c3c2)c2ccccc21.
What is the InChIKey of 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine?
The InChIKey is XHFBZHBALHVLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BNO/c1-3-4-11-21(2)32-27-15-8-6-13-25(27)31(26-14-7-9-16-28(26)32)22-18-19-30-24(20-22)23-12-5-10-17-29(23)33-30/h3-20H,1-2H3.
What are the key properties of 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine?
10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine has a molecular weight of 425.34 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-2-yl-5-hexa-2,4-dien-2-ylbenzo[b][1,4]benzazaborinine is sourced from PubChem (CID 123996187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).