19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene

C32H18FNO — CID 138607839

IUPAC19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
SMILESFc1cc2ccccc2c2c1c1c3ccccc3c3c4ccccc4oc3c1n2-c1ccccc1
InChIInChI=1S/C32H18FNO/c33-25-18-19-10-4-5-13-21(19)30-29(25)28-23-15-7-6-14-22(23)27-24-16-8-9-17-26(24)35-32(27)31(28)34(30)20-11-2-1-3-12-20/h1-18H
InChIKeyYXQQNODCVNDEEW-UHFFFAOYSA-N
MW451.50 g/mol
LogP9.13
Rot. Bonds1

About 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene

19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene (PubChem CID 138607839) has the molecular formula C32H18FNO and a molecular weight of 451.50 g/mol. Its IUPAC name is 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene.

Molecular Properties

Compound Name19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
PubChem CID138607839
Molecular FormulaC32H18FNO
Molecular Weight451.50 g/mol
Exact Mass451.14
IUPAC Name19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
SMILESFc1cc2ccccc2c2c1c1c3ccccc3c3c4ccccc4oc3c1n2-c1ccccc1
InChIInChI=1S/C32H18FNO/c33-25-18-19-10-4-5-13-21(19)30-29(25)28-23-15-7-6-14-22(23)27-24-16-8-9-17-26(24)35-32(27)31(28)34(30)20-11-2-1-3-12-20/h1-18H
InChIKeyYXQQNODCVNDEEW-UHFFFAOYSA-N
XLogP9.13
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?
The IUPAC name of 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene (CID 138607839) is 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene.
What is the SMILES notation for 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?
The canonical SMILES for 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene is Fc1cc2ccccc2c2c1c1c3ccccc3c3c4ccccc4oc3c1n2-c1ccccc1.
What is the InChIKey of 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?
The InChIKey is YXQQNODCVNDEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18FNO/c33-25-18-19-10-4-5-13-21(19)30-29(25)28-23-15-7-6-14-22(23)27-24-16-8-9-17-26(24)35-32(27)31(28)34(30)20-11-2-1-3-12-20/h1-18H.
What are the key properties of 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?
19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene has a molecular weight of 451.50 g/mol, XLogP of 9.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-fluoro-28-phenyl-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene is sourced from PubChem (CID 138607839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).