8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine

C62H38F2N2O2 — CID 147671064

IUPAC8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc4c(cc3c2)oc2c(N(c3ccc(F)cc3)c3ccc(-c5ccccc5)cc3)cc3oc5c6ccccc6ccc5c3c24)cc1
InChIInChI=1S/C62H38F2N2O2/c63-46-21-30-49(31-22-46)65(48-25-15-41(16-26-48)39-9-3-1-4-10-39)52-29-19-44-36-55-57(37-45(44)35-52)67-62-56(38-58-59(60(55)62)54-34-20-43-13-7-8-14-53(43)61(54)68-58)66(51-32-23-47(64)24-33-51)50-27-17-42(18-28-50)40-11-5-2-6-12-40/h1-38H
InChIKeyGNFXNRLCFQTYHL-UHFFFAOYSA-N
MW880.99 g/mol
LogP18.34
Rot. Bonds8

About 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine

8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine (PubChem CID 147671064) has the molecular formula C62H38F2N2O2 and a molecular weight of 880.99 g/mol. Its IUPAC name is 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine.

Molecular Properties

Compound Name8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine
PubChem CID147671064
Molecular FormulaC62H38F2N2O2
Molecular Weight880.99 g/mol
Exact Mass880.29
IUPAC Name8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc4c(cc3c2)oc2c(N(c3ccc(F)cc3)c3ccc(-c5ccccc5)cc3)cc3oc5c6ccccc6ccc5c3c24)cc1
InChIInChI=1S/C62H38F2N2O2/c63-46-21-30-49(31-22-46)65(48-25-15-41(16-26-48)39-9-3-1-4-10-39)52-29-19-44-36-55-57(37-45(44)35-52)67-62-56(38-58-59(60(55)62)54-34-20-43-13-7-8-14-53(43)61(54)68-58)66(51-32-23-47(64)24-33-51)50-27-17-42(18-28-50)40-11-5-2-6-12-40/h1-38H
InChIKeyGNFXNRLCFQTYHL-UHFFFAOYSA-N
XLogP18.34
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.99
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine with MolForge

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Related Compounds

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CID 123881
Sodium-binding benzofuran phthalate
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Sbfi-AM
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4-[6-[16-[2-(2,4-Dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
CID 4250367
N,N'-bis-dibenzofuran-4-yl-N,N'-bis-(2,5-dimethyl-phenyl)-pyrene-1,6-diamine
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1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
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1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluoro-2-phenylphenyl)pyrene-1,6-diamine
CID 87618138
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluoro-3-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 87618145
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-fluoro-6-phenylphenyl)pyrene-1,6-diamine
CID 87618841
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Frequently Asked Questions

What is the IUPAC name of 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine?
The IUPAC name of 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine (CID 147671064) is 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine.
What is the SMILES notation for 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine?
The canonical SMILES for 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine is Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc4c(cc3c2)oc2c(N(c3ccc(F)cc3)c3ccc(-c5ccccc5)cc3)cc3oc5c6ccccc6ccc5c3c24)cc1.
What is the InChIKey of 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine?
The InChIKey is GNFXNRLCFQTYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38F2N2O2/c63-46-21-30-49(31-22-46)65(48-25-15-41(16-26-48)39-9-3-1-4-10-39)52-29-19-44-36-55-57(37-45(44)35-52)67-62-56(38-58-59(60(55)62)54-34-20-43-13-7-8-14-53(43)61(54)68-58)66(51-32-23-47(64)24-33-51)50-27-17-42(18-28-50)40-11-5-2-6-12-40/h1-38H.
What are the key properties of 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine?
8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine has a molecular weight of 880.99 g/mol, XLogP of 18.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,15-N-bis(4-fluorophenyl)-8-N,15-N-bis(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,15-diamine is sourced from PubChem (CID 147671064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).