N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C59H39NO — CID 155423223

IUPACN-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-5-18-40(19-6-1)41-32-34-45(35-33-41)60(55-30-17-31-56-57(55)52-39-51(42-20-7-2-8-21-42)47-26-13-14-28-50(47)58(52)61-56)46-36-37-49-48-27-15-16-29-53(48)59(54(49)38-46,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-39H
InChIKeySFYPZPFBZPNDAG-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 155423223) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID155423223
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-5-18-40(19-6-1)41-32-34-45(35-33-41)60(55-30-17-31-56-57(55)52-39-51(42-20-7-2-8-21-42)47-26-13-14-28-50(47)58(52)61-56)46-36-37-49-48-27-15-16-29-53(48)59(54(49)38-46,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-39H
InChIKeySFYPZPFBZPNDAG-UHFFFAOYSA-N
XLogP15.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 155423223) is N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6ccccc6)cc5c34)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is SFYPZPFBZPNDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-5-18-40(19-6-1)41-32-34-45(35-33-41)60(55-30-17-31-56-57(55)52-39-51(42-20-7-2-8-21-42)47-26-13-14-28-50(47)58(52)61-56)46-36-37-49-48-27-15-16-29-53(48)59(54(49)38-46,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 777.97 g/mol, XLogP of 15.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 155423223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).