9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole

C43H33FN2O — CID 134240267

IUPAC9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole
SMILESC=C(/C=C(\C=C(/C)n1c2ccccc2c2ccccc21)c1cccc2c1oc1ccccc12)n1c(/C=C\CF)c(C)c2ccccc21
InChIInChI=1S/C43H33FN2O/c1-28(45-38(23-13-25-44)30(3)32-14-4-8-20-39(32)45)26-31(33-18-12-19-37-36-17-7-11-24-42(36)47-43(33)37)27-29(2)46-40-21-9-5-15-34(40)35-16-6-10-22-41(35)46/h4-24,26-27H,1,25H2,2-3H3/b23-13-,29-27+,31-26+
InChIKeyPXRVRTOXWYEGFA-XXNDJYBZSA-N
MW612.75 g/mol
LogP12.06
Rot. Bonds7

About 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole

9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole (PubChem CID 134240267) has the molecular formula C43H33FN2O and a molecular weight of 612.75 g/mol. Its IUPAC name is 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole.

Molecular Properties

Compound Name9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole
PubChem CID134240267
Molecular FormulaC43H33FN2O
Molecular Weight612.75 g/mol
Exact Mass612.26
IUPAC Name9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole
SMILESC=C(/C=C(\C=C(/C)n1c2ccccc2c2ccccc21)c1cccc2c1oc1ccccc12)n1c(/C=C\CF)c(C)c2ccccc21
InChIInChI=1S/C43H33FN2O/c1-28(45-38(23-13-25-44)30(3)32-14-4-8-20-39(32)45)26-31(33-18-12-19-37-36-17-7-11-24-42(36)47-43(33)37)27-29(2)46-40-21-9-5-15-34(40)35-16-6-10-22-41(35)46/h4-24,26-27H,1,25H2,2-3H3/b23-13-,29-27+,31-26+
InChIKeyPXRVRTOXWYEGFA-XXNDJYBZSA-N
XLogP12.06
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.75
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole?
The IUPAC name of 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole (CID 134240267) is 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole.
What is the SMILES notation for 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole?
The canonical SMILES for 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole is C=C(/C=C(\C=C(/C)n1c2ccccc2c2ccccc21)c1cccc2c1oc1ccccc12)n1c(/C=C\CF)c(C)c2ccccc21.
What is the InChIKey of 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole?
The InChIKey is PXRVRTOXWYEGFA-XXNDJYBZSA-N. The full InChI is InChI=1S/C43H33FN2O/c1-28(45-38(23-13-25-44)30(3)32-14-4-8-20-39(32)45)26-31(33-18-12-19-37-36-17-7-11-24-42(36)47-43(33)37)27-29(2)46-40-21-9-5-15-34(40)35-16-6-10-22-41(35)46/h4-24,26-27H,1,25H2,2-3H3/b23-13-,29-27+,31-26+.
What are the key properties of 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole?
9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole has a molecular weight of 612.75 g/mol, XLogP of 12.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole is sourced from PubChem (CID 134240267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).