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

C64H38F2N2O3 — CID 90262711

IUPAC5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESFc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c23)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C64H38F2N2O3/c65-41-27-31-43(32-28-41)67(55-25-11-23-52-50-21-9-19-46(61(50)70-63(52)55)39-13-3-1-4-14-39)45-35-36-54-58(37-45)69-59-38-57(48-17-7-8-18-49(48)60(54)59)68(44-33-29-42(66)30-34-44)56-26-12-24-53-51-22-10-20-47(62(51)71-64(53)56)40-15-5-2-6-16-40/h1-38H
InChIKeyPXLYQFJQFDMQET-UHFFFAOYSA-N
MW921.02 g/mol
LogP19.09
Rot. Bonds8

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

5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 90262711) has the molecular formula C64H38F2N2O3 and a molecular weight of 921.02 g/mol. Its IUPAC name is 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-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-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine
PubChem CID90262711
Molecular FormulaC64H38F2N2O3
Molecular Weight921.02 g/mol
Exact Mass920.29
IUPAC Name5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESFc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c23)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C64H38F2N2O3/c65-41-27-31-43(32-28-41)67(55-25-11-23-52-50-21-9-19-46(61(50)70-63(52)55)39-13-3-1-4-14-39)45-35-36-54-58(37-45)69-59-38-57(48-17-7-8-18-49(48)60(54)59)68(44-33-29-42(66)30-34-44)56-26-12-24-53-51-22-10-20-47(62(51)71-64(53)56)40-15-5-2-6-16-40/h1-38H
InChIKeyPXLYQFJQFDMQET-UHFFFAOYSA-N
XLogP19.09
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.02
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-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-phenyldibenzofuran-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-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 90262711) is 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-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-phenyldibenzofuran-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-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine is Fc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(F)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c23)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The InChIKey is PXLYQFJQFDMQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38F2N2O3/c65-41-27-31-43(32-28-41)67(55-25-11-23-52-50-21-9-19-46(61(50)70-63(52)55)39-13-3-1-4-14-39)45-35-36-54-58(37-45)69-59-38-57(48-17-7-8-18-49(48)60(54)59)68(44-33-29-42(66)30-34-44)56-26-12-24-53-51-22-10-20-47(62(51)71-64(53)56)40-15-5-2-6-16-40/h1-38H.
What are the key properties of 5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
5-N,9-N-bis(4-fluorophenyl)-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 921.02 g/mol, XLogP of 19.09, 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-phenyldibenzofuran-4-yl)naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 90262711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).