N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine

C48H34N2O — CID 59308171

IUPACN-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
SMILESCOc1ccc(N(c2ccncc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C48H34N2O/c1-51-39-24-21-36(22-25-39)50(37-27-29-49-30-28-37)38-23-26-42-45(31-38)40-19-11-12-20-41(40)47-44(34-15-7-3-8-16-34)32-43(33-13-5-2-6-14-33)46(48(42)47)35-17-9-4-10-18-35/h2-32H,1H3
InChIKeyUQAWDGANFIYYIV-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.02
Rot. Bonds7

About N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine

N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine (PubChem CID 59308171) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
PubChem CID59308171
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
SMILESCOc1ccc(N(c2ccncc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C48H34N2O/c1-51-39-24-21-36(22-25-39)50(37-27-29-49-30-28-37)38-23-26-42-45(31-38)40-19-11-12-20-41(40)47-44(34-15-7-3-8-16-34)32-43(33-13-5-2-6-14-33)46(48(42)47)35-17-9-4-10-18-35/h2-32H,1H3
InChIKeyUQAWDGANFIYYIV-UHFFFAOYSA-N
XLogP13.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine with MolForge

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Related Compounds

N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308060
4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzenethiol
CID 89072605
N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine
CID 59307848
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59307875

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine (CID 59308171) is N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine is COc1ccc(N(c2ccncc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine?
The InChIKey is UQAWDGANFIYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-51-39-24-21-36(22-25-39)50(37-27-29-49-30-28-37)38-23-26-42-45(31-38)40-19-11-12-20-41(40)47-44(34-15-7-3-8-16-34)32-43(33-13-5-2-6-14-33)46(48(42)47)35-17-9-4-10-18-35/h2-32H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine?
N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine has a molecular weight of 654.81 g/mol, XLogP of 13.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine is sourced from PubChem (CID 59308171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).