10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole

C41H31NO — CID 142569223

About 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole

10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole (PubChem CID 142569223) has the molecular formula C41H31NO and a molecular weight of 553.71 g/mol. Its IUPAC name is 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole.

Molecular Properties

• Compound Name: 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole
• PubChem CID: 142569223
• Molecular Formula: C41H31NO
• Molecular Weight: 553.71 g/mol
• Exact Mass: 553.24
• IUPAC Name: 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole
• SMILES: C/C=C\c1oc2cc(-c3cccc(-c4cccc(-c5cccc6c5[nH]c5c7ccccc7ccc65)c4)c3)ccc2c1CC
• InChI: InChI=1S/C41H31NO/c1-3-10-38-32(4-2)35-21-20-30(25-39(35)43-38)28-13-7-12-27(23-28)29-14-8-15-31(24-29)34-17-9-18-36-37-22-19-26-11-5-6-16-33(26)40(37)42-41(34)36/h3,5-25,42H,4H2,1-2H3/b10-3-
• InChIKey: VILQUTBUGJLRGS-KMKOMSMNSA-N
• XLogP: 11.82
• TPSA: 28.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.71
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole?

The IUPAC name of 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole (CID 142569223) is 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole.

What is the SMILES notation for 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole?

The canonical SMILES for 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole is C/C=C\c1oc2cc(-c3cccc(-c4cccc(-c5cccc6c5[nH]c5c7ccccc7ccc65)c4)c3)ccc2c1CC.

What is the InChIKey of 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole?

The InChIKey is VILQUTBUGJLRGS-KMKOMSMNSA-N. The full InChI is InChI=1S/C41H31NO/c1-3-10-38-32(4-2)35-21-20-30(25-39(35)43-38)28-13-7-12-27(23-28)29-14-8-15-31(24-29)34-17-9-18-36-37-22-19-26-11-5-6-16-33(26)40(37)42-41(34)36/h3,5-25,42H,4H2,1-2H3/b10-3-.

What are the key properties of 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole?

10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole has a molecular weight of 553.71 g/mol, XLogP of 11.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]phenyl]-11H-benzo[a]carbazole is sourced from PubChem (CID 142569223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).