5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

C75H64F2N4O — CID 126708502

IUPAC5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCC1=CC(c2ccccc2)=C(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2cccc(F)c2)(c2cccc(F)c2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccccc4)c4c(oc5ccccc54)c2-3)NC1
InChIInChI=1S/C75H64F2N4O/c1-47-39-62(49-19-11-9-12-20-49)71(78-45-47)80(57-33-29-51(30-34-57)73(3,4)5)59-37-38-60-64(43-59)75(53-23-17-25-55(76)41-53,54-24-18-26-56(77)42-54)65-44-66(69-61-27-15-16-28-67(61)82-70(69)68(60)65)81(58-35-31-52(32-36-58)74(6,7)8)72-63(40-48(2)46-79-72)50-21-13-10-14-22-50/h9-44,46,78H,45H2,1-8H3
InChIKeyRNGAUKNOLILCSH-UHFFFAOYSA-N
MW1075.36 g/mol
LogP19.72
Rot. Bonds10

About 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 126708502) has the molecular formula C75H64F2N4O and a molecular weight of 1075.36 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
PubChem CID126708502
Molecular FormulaC75H64F2N4O
Molecular Weight1075.36 g/mol
Exact Mass1074.50
IUPAC Name5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCC1=CC(c2ccccc2)=C(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2cccc(F)c2)(c2cccc(F)c2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccccc4)c4c(oc5ccccc54)c2-3)NC1
InChIInChI=1S/C75H64F2N4O/c1-47-39-62(49-19-11-9-12-20-49)71(78-45-47)80(57-33-29-51(30-34-57)73(3,4)5)59-37-38-60-64(43-59)75(53-23-17-25-55(76)41-53,54-24-18-26-56(77)42-54)65-44-66(69-61-27-15-16-28-67(61)82-70(69)68(60)65)81(58-35-31-52(32-36-58)74(6,7)8)72-63(40-48(2)46-79-72)50-21-13-10-14-22-50/h9-44,46,78H,45H2,1-8H3
InChIKeyRNGAUKNOLILCSH-UHFFFAOYSA-N
XLogP19.72
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.36
LogP ≤ 519.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-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-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 126708502) is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is CC1=CC(c2ccccc2)=C(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2cccc(F)c2)(c2cccc(F)c2)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccccc4)c4c(oc5ccccc54)c2-3)NC1.
What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The InChIKey is RNGAUKNOLILCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H64F2N4O/c1-47-39-62(49-19-11-9-12-20-49)71(78-45-47)80(57-33-29-51(30-34-57)73(3,4)5)59-37-38-60-64(43-59)75(53-23-17-25-55(76)41-53,54-24-18-26-56(77)42-54)65-44-66(69-61-27-15-16-28-67(61)82-70(69)68(60)65)81(58-35-31-52(32-36-58)74(6,7)8)72-63(40-48(2)46-79-72)50-21-13-10-14-22-50/h9-44,46,78H,45H2,1-8H3.
What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 1075.36 g/mol, XLogP of 19.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(3-methyl-5-phenyl-1,2-dihydropyridin-6-yl)-5-N-(5-methyl-3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 126708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).