2'-(1-methylimidazol-2-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'-fluorene]

C35H23N3 — CID 154940216

About 2'-(1-methylimidazol-2-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'-fluorene]

2'-(1-methylimidazol-2-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'-fluorene] (PubChem CID 154940216) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2'-(1-methylimidazol-2-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'-fluorene].

Molecular Properties

• Compound Name: 2'-(1-methylimidazol-2-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'-fluorene]
• PubChem CID: 154940216
• Molecular Formula: C35H23N3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.19
• IUPAC Name: 2'-(1-methylimidazol-2-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'-fluorene]
• SMILES: Cn1ccnc1-c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/C35H23N3/c1-37-20-19-36-34(37)22-17-18-24-23-9-2-4-12-27(23)35(30(24)21-22)28-13-5-7-16-32(28)38-31-15-6-3-10-25(31)26-11-8-14-29(35)33(26)38/h2-21H,1H3
• InChIKey: YLDMPTPNNWFVOL-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2'-(1-methylimidazol-2-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'-fluorene]?

The IUPAC name of 2'-(1-methylimidazol-2-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'-fluorene] (CID 154940216) is 2'-(1-methylimidazol-2-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'-fluorene].

What is the SMILES notation for 2'-(1-methylimidazol-2-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'-fluorene]?

The canonical SMILES for 2'-(1-methylimidazol-2-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'-fluorene] is Cn1ccnc1-c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccccc3c3cccc1c32.

What is the InChIKey of 2'-(1-methylimidazol-2-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'-fluorene]?

The InChIKey is YLDMPTPNNWFVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-37-20-19-36-34(37)22-17-18-24-23-9-2-4-12-27(23)35(30(24)21-22)28-13-5-7-16-32(28)38-31-15-6-3-10-25(31)26-11-8-14-29(35)33(26)38/h2-21H,1H3.

What are the key properties of 2'-(1-methylimidazol-2-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'-fluorene]?

2'-(1-methylimidazol-2-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'-fluorene] has a molecular weight of 485.59 g/mol, XLogP of 7.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(1-methylimidazol-2-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'-fluorene] is sourced from PubChem (CID 154940216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).