19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

C48H24F5NO — CID 87414569

IUPAC19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
SMILESFc1c(F)c(F)c(-c2ccc3c(c2)oc2cc(-c4cc5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc45)ccc23)c(F)c1F
InChIInChI=1S/C48H24F5NO/c49-43-40(44(50)46(52)47(53)45(43)51)26-19-21-31-30-20-18-25(22-38(30)55-39(31)23-26)35-24-36-29-13-5-7-15-33(29)41-34-16-8-9-17-37(34)54(27-10-2-1-3-11-27)48(41)42(36)32-14-6-4-12-28(32)35/h1-24H
InChIKeyJOPRLZXZCUBVHD-UHFFFAOYSA-N
MW725.72 g/mol
LogP14.17
Rot. Bonds3

About 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (PubChem CID 87414569) has the molecular formula C48H24F5NO and a molecular weight of 725.72 g/mol. Its IUPAC name is 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
PubChem CID87414569
Molecular FormulaC48H24F5NO
Molecular Weight725.72 g/mol
Exact Mass725.18
IUPAC Name19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
SMILESFc1c(F)c(F)c(-c2ccc3c(c2)oc2cc(-c4cc5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc45)ccc23)c(F)c1F
InChIInChI=1S/C48H24F5NO/c49-43-40(44(50)46(52)47(53)45(43)51)26-19-21-31-30-20-18-25(22-38(30)55-39(31)23-26)35-24-36-29-13-5-7-15-33(29)41-34-16-8-9-17-37(34)54(27-10-2-1-3-11-27)48(41)42(36)32-14-6-4-12-28(32)35/h1-24H
InChIKeyJOPRLZXZCUBVHD-UHFFFAOYSA-N
XLogP14.17
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.72
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (CID 87414569) is 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is Fc1c(F)c(F)c(-c2ccc3c(c2)oc2cc(-c4cc5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc45)ccc23)c(F)c1F.
What is the InChIKey of 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
The InChIKey is JOPRLZXZCUBVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24F5NO/c49-43-40(44(50)46(52)47(53)45(43)51)26-19-21-31-30-20-18-25(22-38(30)55-39(31)23-26)35-24-36-29-13-5-7-15-33(29)41-34-16-8-9-17-37(34)54(27-10-2-1-3-11-27)48(41)42(36)32-14-6-4-12-28(32)35/h1-24H.
What are the key properties of 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene has a molecular weight of 725.72 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[7-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 87414569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).