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

C53H38N2O — CID 59413561

IUPACN-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine
SMILESCOc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6cccnc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C53H38N2O/c1-56-46-32-30-45(31-33-46)55(52-21-9-12-39-11-2-3-16-47(39)52)44-28-26-42(27-29-44)53(50-19-6-4-17-48(50)49-18-5-7-20-51(49)53)43-15-8-13-40(35-43)37-22-24-38(25-23-37)41-14-10-34-54-36-41/h2-36H,1H3
InChIKeyQLNHRUKFFSCCNB-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.41
Rot. Bonds8

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

N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine (PubChem CID 59413561) has the molecular formula C53H38N2O and a molecular weight of 718.90 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine
PubChem CID59413561
Molecular FormulaC53H38N2O
Molecular Weight718.90 g/mol
Exact Mass718.30
IUPAC NameN-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine
SMILESCOc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6cccnc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C53H38N2O/c1-56-46-32-30-45(31-33-46)55(52-21-9-12-39-11-2-3-16-47(39)52)44-28-26-42(27-29-44)53(50-19-6-4-17-48(50)49-18-5-7-20-51(49)53)43-15-8-13-40(35-43)37-22-24-38(25-23-37)41-14-10-34-54-36-41/h2-36H,1H3
InChIKeyQLNHRUKFFSCCNB-UHFFFAOYSA-N
XLogP13.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.41
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-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine (CID 59413561) is N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine is COc1ccc(N(c2ccc(C3(c4cccc(-c5ccc(-c6cccnc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
The InChIKey is QLNHRUKFFSCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2O/c1-56-46-32-30-45(31-33-46)55(52-21-9-12-39-11-2-3-16-47(39)52)44-28-26-42(27-29-44)53(50-19-6-4-17-48(50)49-18-5-7-20-51(49)53)43-15-8-13-40(35-43)37-22-24-38(25-23-37)41-14-10-34-54-36-41/h2-36H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine?
N-(4-methoxyphenyl)-N-[4-[9-[3-(4-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine has a molecular weight of 718.90 g/mol, XLogP of 13.41, 8 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-pyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 59413561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).