4'-(4-fluorophenyl)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]

C37H22FNO — CID 135140161

IUPAC4'-(4-fluorophenyl)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]
SMILESFc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
InChIInChI=1S/C37H22FNO/c38-24-21-19-23(20-22-24)25-10-7-15-31-36(25)40-34-18-6-3-13-29(34)37(31)28-12-2-5-17-33(28)39-32-16-4-1-9-26(32)27-11-8-14-30(37)35(27)39/h1-22H
InChIKeyQMGMOPFNBWMAEI-UHFFFAOYSA-N
MW515.59 g/mol
LogP9.39
Rot. Bonds1

About 4'-(4-fluorophenyl)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'-(4-fluorophenyl)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 135140161) has the molecular formula C37H22FNO and a molecular weight of 515.59 g/mol. Its IUPAC name is 4'-(4-fluorophenyl)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 Name4'-(4-fluorophenyl)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 CID135140161
Molecular FormulaC37H22FNO
Molecular Weight515.59 g/mol
Exact Mass515.17
IUPAC Name4'-(4-fluorophenyl)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]
SMILESFc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
InChIInChI=1S/C37H22FNO/c38-24-21-19-23(20-22-24)25-10-7-15-31-36(25)40-34-18-6-3-13-29(34)37(31)28-12-2-5-17-33(28)39-32-16-4-1-9-26(32)27-11-8-14-30(37)35(27)39/h1-22H
InChIKeyQMGMOPFNBWMAEI-UHFFFAOYSA-N
XLogP9.39
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.59
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4'-(4-fluorophenyl)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] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4'-(4-fluorophenyl)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'-(4-fluorophenyl)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 135140161) is 4'-(4-fluorophenyl)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'-(4-fluorophenyl)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'-(4-fluorophenyl)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 Fc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.
What is the InChIKey of 4'-(4-fluorophenyl)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 QMGMOPFNBWMAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22FNO/c38-24-21-19-23(20-22-24)25-10-7-15-31-36(25)40-34-18-6-3-13-29(34)37(31)28-12-2-5-17-33(28)39-32-16-4-1-9-26(32)27-11-8-14-30(37)35(27)39/h1-22H.
What are the key properties of 4'-(4-fluorophenyl)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'-(4-fluorophenyl)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 515.59 g/mol, XLogP of 9.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-fluorophenyl)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 135140161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).