9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole

C29H21NO — CID 144541208

IUPAC9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
SMILESC=C(/C=C\C)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C29H21NO/c1-3-8-19(2)20-13-15-28-24(17-20)25-18-21(14-16-29(25)31-28)30-26-11-6-4-9-22(26)23-10-5-7-12-27(23)30/h3-18H,2H2,1H3/b8-3-
InChIKeyWUDSEWXAWSHZNH-BAQGIRSFSA-N
MW399.49 g/mol
LogP8.27
Rot. Bonds3

About 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole

9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 144541208) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID144541208
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
SMILESC=C(/C=C\C)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C29H21NO/c1-3-8-19(2)20-13-15-28-24(17-20)25-18-21(14-16-29(25)31-28)30-26-11-6-4-9-22(26)23-10-5-7-12-27(23)30/h3-18H,2H2,1H3/b8-3-
InChIKeyWUDSEWXAWSHZNH-BAQGIRSFSA-N
XLogP8.27
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole
CID 135258643
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole
CID 137474196
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
CID 90167817
CID 90167817
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
9-[8-[3-[3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1-benzofuran-5-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 166647590

Frequently Asked Questions

What is the IUPAC name of 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole (CID 144541208) is 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole is C=C(/C=C\C)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is WUDSEWXAWSHZNH-BAQGIRSFSA-N. The full InChI is InChI=1S/C29H21NO/c1-3-8-19(2)20-13-15-28-24(17-20)25-18-21(14-16-29(25)31-28)30-26-11-6-4-9-22(26)23-10-5-7-12-27(23)30/h3-18H,2H2,1H3/b8-3-.
What are the key properties of 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole?
9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 399.49 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 144541208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).