N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine

C59H42N2O — CID 59413552

IUPACN-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine
SMILESCOc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6ccc(-c7cccnc7)cc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C59H42N2O/c1-62-52-36-34-51(35-37-52)61(58-21-9-12-45-11-2-3-16-53(45)58)50-32-30-48(31-33-50)59(56-19-6-4-17-54(56)55-18-5-7-20-57(55)59)49-15-8-13-46(39-49)43-26-22-41(23-27-43)42-24-28-44(29-25-42)47-14-10-38-60-40-47/h2-40H,1H3
InChIKeyMAUHVWPFRZFPGL-UHFFFAOYSA-N
MW795.00 g/mol
LogP15.08
Rot. Bonds9

About N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine

N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine (PubChem CID 59413552) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine
PubChem CID59413552
Molecular FormulaC59H42N2O
Molecular Weight795.00 g/mol
Exact Mass794.33
IUPAC NameN-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine
SMILESCOc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6ccc(-c7cccnc7)cc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C59H42N2O/c1-62-52-36-34-51(35-37-52)61(58-21-9-12-45-11-2-3-16-53(45)58)50-32-30-48(31-33-50)59(56-19-6-4-17-54(56)55-18-5-7-20-57(55)59)49-15-8-13-46(39-49)43-26-22-41(23-27-43)42-24-28-44(29-25-42)47-14-10-38-60-40-47/h2-40H,1H3
InChIKeyMAUHVWPFRZFPGL-UHFFFAOYSA-N
XLogP15.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine (CID 59413552) is N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine is COc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6ccc(-c7cccnc7)cc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The InChIKey is MAUHVWPFRZFPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-62-52-36-34-51(35-37-52)61(58-21-9-12-45-11-2-3-16-53(45)58)50-32-30-48(31-33-50)59(56-19-6-4-17-54(56)55-18-5-7-20-57(55)59)49-15-8-13-46(39-49)43-26-22-41(23-27-43)42-24-28-44(29-25-42)47-14-10-38-60-40-47/h2-40H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine has a molecular weight of 795.00 g/mol, XLogP of 15.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[4-[9-[3-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 59413552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).