4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C65H42FN3O — CID 118148969

IUPAC4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccn2)c2ccccc2-c2ccccc2)cc1O4
InChIInChI=1S/C65H42FN3O/c66-58-39-46(43-20-5-1-6-21-43)38-54(45-24-9-3-10-25-45)65(58)69(47-26-11-4-12-27-47)60-42-56-53-31-19-33-61-64(53)57(41-55(56)50-29-13-14-30-51(50)60)52-36-35-48(40-62(52)70-61)68(63-34-17-18-37-67-63)59-32-16-15-28-49(59)44-22-7-2-8-23-44/h1-42H
InChIKeyCULWMMDDSFSMOO-UHFFFAOYSA-N
MW900.07 g/mol
LogP18.39
Rot. Bonds9

About 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 118148969) has the molecular formula C65H42FN3O and a molecular weight of 900.07 g/mol. Its IUPAC name is 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
PubChem CID118148969
Molecular FormulaC65H42FN3O
Molecular Weight900.07 g/mol
Exact Mass899.33
IUPAC Name4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccn2)c2ccccc2-c2ccccc2)cc1O4
InChIInChI=1S/C65H42FN3O/c66-58-39-46(43-20-5-1-6-21-43)38-54(45-24-9-3-10-25-45)65(58)69(47-26-11-4-12-27-47)60-42-56-53-31-19-33-61-64(53)57(41-55(56)50-29-13-14-30-51(50)60)52-36-35-48(40-62(52)70-61)68(63-34-17-18-37-67-63)59-32-16-15-28-49(59)44-22-7-2-8-23-44/h1-42H
InChIKeyCULWMMDDSFSMOO-UHFFFAOYSA-N
XLogP18.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.07
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?
The IUPAC name of 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 118148969) is 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.
What is the SMILES notation for 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?
The canonical SMILES for 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccn2)c2ccccc2-c2ccccc2)cc1O4.
What is the InChIKey of 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?
The InChIKey is CULWMMDDSFSMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42FN3O/c66-58-39-46(43-20-5-1-6-21-43)38-54(45-24-9-3-10-25-45)65(58)69(47-26-11-4-12-27-47)60-42-56-53-31-19-33-61-64(53)57(41-55(56)50-29-13-14-30-51(50)60)52-36-35-48(40-62(52)70-61)68(63-34-17-18-37-67-63)59-32-16-15-28-49(59)44-22-7-2-8-23-44/h1-42H.
What are the key properties of 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?
4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 900.07 g/mol, XLogP of 18.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 118148969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).