4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

C43H27NO2 — CID 146519639

About 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (PubChem CID 146519639) has the molecular formula C43H27NO2 and a molecular weight of 589.69 g/mol. Its IUPAC name is 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

Molecular Properties

• Compound Name: 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• PubChem CID: 146519639
• Molecular Formula: C43H27NO2
• Molecular Weight: 589.69 g/mol
• Exact Mass: 589.20
• IUPAC Name: 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
• SMILES: C1=Cc2c(oc3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cccc23)CC1
• InChI: InChI=1S/C43H27NO2/c1-5-22-36-26(12-1)28-14-10-20-34-40(28)44(36)37-23-6-3-18-32(37)43(34)33-19-4-8-25-39(33)46-42-31(17-11-21-35(42)43)30-16-9-15-29-27-13-2-7-24-38(27)45-41(29)30/h1-6,8-23,25H,7,24H2
• InChIKey: ZYUDNYUWUWRXEA-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 27.30 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.69
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The IUPAC name of 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (CID 146519639) is 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

What is the SMILES notation for 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The canonical SMILES for 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is C1=Cc2c(oc3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cccc23)CC1.

What is the InChIKey of 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

The InChIKey is ZYUDNYUWUWRXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO2/c1-5-22-36-26(12-1)28-14-10-20-34-40(28)44(36)37-23-6-3-18-32(37)43(34)33-19-4-8-25-39(33)46-42-31(17-11-21-35(42)43)30-16-9-15-29-27-13-2-7-24-38(27)45-41(29)30/h1-6,8-23,25H,7,24H2.

What are the key properties of 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?

4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] has a molecular weight of 589.69 g/mol, XLogP of 10.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-(6,7-dihydrodibenzofuran-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is sourced from PubChem (CID 146519639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).