7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]

C37H24ClN — CID 143269262

About 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]

7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene] (PubChem CID 143269262) has the molecular formula C37H24ClN and a molecular weight of 518.06 g/mol. Its IUPAC name is 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene].

Molecular Properties

• Compound Name: 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]
• PubChem CID: 143269262
• Molecular Formula: C37H24ClN
• Molecular Weight: 518.06 g/mol
• Exact Mass: 517.16
• IUPAC Name: 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]
• SMILES: Clc1ccc(-c2ccc3c(c2)C2(c4ccccc4-n4c5ccccc5c5cccc2c54)C2C=CC=CC32)cc1
• InChI: InChI=1S/C37H24ClN/c38-25-19-16-23(17-20-25)24-18-21-27-26-8-1-3-11-30(26)37(33(27)22-24)31-12-4-6-15-35(31)39-34-14-5-2-9-28(34)29-10-7-13-32(37)36(29)39/h1-22,26,30H
• InChIKey: PPNMKLBQMYWEDQ-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.06
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]?

The IUPAC name of 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene] (CID 143269262) is 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene].

What is the SMILES notation for 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]?

The canonical SMILES for 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene] is Clc1ccc(-c2ccc3c(c2)C2(c4ccccc4-n4c5ccccc5c5cccc2c54)C2C=CC=CC32)cc1.

What is the InChIKey of 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]?

The InChIKey is PPNMKLBQMYWEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24ClN/c38-25-19-16-23(17-20-25)24-18-21-27-26-8-1-3-11-30(26)37(33(27)22-24)31-12-4-6-15-35(31)39-34-14-5-2-9-28(34)29-10-7-13-32(37)36(29)39/h1-22,26,30H.

What are the key properties of 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene]?

7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene] has a molecular weight of 518.06 g/mol, XLogP of 9.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-(4-chlorophenyl)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'-4a,9a-dihydrofluorene] is sourced from PubChem (CID 143269262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).