5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine

C61H38FN3O2 — CID 118030188

IUPAC5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)Oc1cc(N(c2ccc4ccccc4c2)c2ccccn2)ccc1-3
InChIInChI=1S/C61H38FN3O2/c62-53-36-43(39-14-4-1-5-15-39)35-52(41-17-6-2-7-18-41)61(53)65(44-20-8-3-9-21-44)47-26-28-49-51-30-31-54-59-50(29-32-55(60(51)59)67-57(49)38-47)48-27-25-46(37-56(48)66-54)64(58-22-12-13-33-63-58)45-24-23-40-16-10-11-19-42(40)34-45/h1-38H
InChIKeyVDUREXYEECLVKP-UHFFFAOYSA-N
MW863.99 g/mol
LogP17.35
Rot. Bonds8

About 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine

5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine (PubChem CID 118030188) has the molecular formula C61H38FN3O2 and a molecular weight of 863.99 g/mol. Its IUPAC name is 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine.

Molecular Properties

Compound Name5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
PubChem CID118030188
Molecular FormulaC61H38FN3O2
Molecular Weight863.99 g/mol
Exact Mass863.29
IUPAC Name5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)Oc1cc(N(c2ccc4ccccc4c2)c2ccccn2)ccc1-3
InChIInChI=1S/C61H38FN3O2/c62-53-36-43(39-14-4-1-5-15-39)35-52(41-17-6-2-7-18-41)61(53)65(44-20-8-3-9-21-44)47-26-28-49-51-30-31-54-59-50(29-32-55(60(51)59)67-57(49)38-47)48-27-25-46(37-56(48)66-54)64(58-22-12-13-33-63-58)45-24-23-40-16-10-11-19-42(40)34-45/h1-38H
InChIKeyVDUREXYEECLVKP-UHFFFAOYSA-N
XLogP17.35
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.99
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?
The IUPAC name of 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine (CID 118030188) is 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine.
What is the SMILES notation for 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?
The canonical SMILES for 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)Oc1cc(N(c2ccc4ccccc4c2)c2ccccn2)ccc1-3.
What is the InChIKey of 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?
The InChIKey is VDUREXYEECLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38FN3O2/c62-53-36-43(39-14-4-1-5-15-39)35-52(41-17-6-2-7-18-41)61(53)65(44-20-8-3-9-21-44)47-26-28-49-51-30-31-54-59-50(29-32-55(60(51)59)67-57(49)38-47)48-27-25-46(37-56(48)66-54)64(58-22-12-13-33-63-58)45-24-23-40-16-10-11-19-42(40)34-45/h1-38H.
What are the key properties of 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?
5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine has a molecular weight of 863.99 g/mol, XLogP of 17.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluoro-4,6-diphenylphenyl)-16-N-naphthalen-2-yl-5-N-phenyl-16-N-pyridin-2-yl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine is sourced from PubChem (CID 118030188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).