N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C59H42N2O — CID 23528418

IUPACN-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c2cccc(-c3oc4ccccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C59H42N2O/c1-41-22-30-50(31-23-41)60(53-19-11-18-49(40-53)59-58(46-14-3-2-4-15-46)56-20-9-10-21-57(56)62-59)51-32-24-44(25-33-51)45-26-34-52(35-27-45)61(54-36-28-42-12-5-7-16-47(42)38-54)55-37-29-43-13-6-8-17-48(43)39-55/h2-40H,1H3
InChIKeySYHHVNZEGBOLOL-UHFFFAOYSA-N
MW795.00 g/mol
LogP16.99
Rot. Bonds9

About N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 23528418) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID23528418
Molecular FormulaC59H42N2O
Molecular Weight795.00 g/mol
Exact Mass794.33
IUPAC NameN-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c2cccc(-c3oc4ccccc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C59H42N2O/c1-41-22-30-50(31-23-41)60(53-19-11-18-49(40-53)59-58(46-14-3-2-4-15-46)56-20-9-10-21-57(56)62-59)51-32-24-44(25-33-51)45-26-34-52(35-27-45)61(54-36-28-42-12-5-7-16-47(42)38-54)55-37-29-43-13-6-8-17-48(43)39-55/h2-40H,1H3
InChIKeySYHHVNZEGBOLOL-UHFFFAOYSA-N
XLogP16.99
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 23528418) is N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c2cccc(-c3oc4ccccc4c3-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is SYHHVNZEGBOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-41-22-30-50(31-23-41)60(53-19-11-18-49(40-53)59-58(46-14-3-2-4-15-46)56-20-9-10-21-57(56)62-59)51-32-24-44(25-33-51)45-26-34-52(35-27-45)61(54-36-28-42-12-5-7-16-47(42)38-54)55-37-29-43-13-6-8-17-48(43)39-55/h2-40H,1H3.
What are the key properties of N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 795.00 g/mol, XLogP of 16.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 23528418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).