5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine

C66H42F2N2O3 — CID 90262759

IUPAC5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(F)cc3)c3ccc4c(c3)oc3cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)c5ccccc5c34)cccc12
InChIInChI=1S/C66H42F2N2O3/c1-39-13-3-5-15-46(39)50-19-9-21-52-54-23-11-25-57(65(54)72-63(50)52)69(43-31-27-41(67)28-32-43)45-35-36-56-60(37-45)71-61-38-59(48-17-7-8-18-49(48)62(56)61)70(44-33-29-42(68)30-34-44)58-26-12-24-55-53-22-10-20-51(64(53)73-66(55)58)47-16-6-4-14-40(47)2/h3-38H,1-2H3
InChIKeyLWUSOXRVMGVBTC-UHFFFAOYSA-N
MW949.07 g/mol
LogP19.71
Rot. Bonds8

About 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine

5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 90262759) has the molecular formula C66H42F2N2O3 and a molecular weight of 949.07 g/mol. Its IUPAC name is 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine
PubChem CID90262759
Molecular FormulaC66H42F2N2O3
Molecular Weight949.07 g/mol
Exact Mass948.32
IUPAC Name5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(F)cc3)c3ccc4c(c3)oc3cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)c5ccccc5c34)cccc12
InChIInChI=1S/C66H42F2N2O3/c1-39-13-3-5-15-46(39)50-19-9-21-52-54-23-11-25-57(65(54)72-63(50)52)69(43-31-27-41(67)28-32-43)45-35-36-56-60(37-45)71-61-38-59(48-17-7-8-18-49(48)62(56)61)70(44-33-29-42(68)30-34-44)58-26-12-24-55-53-22-10-20-51(64(53)73-66(55)58)47-16-6-4-14-40(47)2/h3-38H,1-2H3
InChIKeyLWUSOXRVMGVBTC-UHFFFAOYSA-N
XLogP19.71
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.07
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 90262759) is 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine is Cc1ccccc1-c1cccc2c1oc1c(N(c3ccc(F)cc3)c3ccc4c(c3)oc3cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)c5ccccc5c34)cccc12.
What is the InChIKey of 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine?
The InChIKey is LWUSOXRVMGVBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42F2N2O3/c1-39-13-3-5-15-46(39)50-19-9-21-52-54-23-11-25-57(65(54)72-63(50)52)69(43-31-27-41(67)28-32-43)45-35-36-56-60(37-45)71-61-38-59(48-17-7-8-18-49(48)62(56)61)70(44-33-29-42(68)30-34-44)58-26-12-24-55-53-22-10-20-51(64(53)73-66(55)58)47-16-6-4-14-40(47)2/h3-38H,1-2H3.
What are the key properties of 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine?
5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 949.07 g/mol, XLogP of 19.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 90262759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).