N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine

C47H32N2 — CID 59308571

IUPACN-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cccnc5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C47H32N2/c1-5-16-33(17-6-1)42-31-43(34-18-7-2-8-19-34)46-40-26-14-13-25-39(40)44-30-37(27-28-41(44)47(46)45(42)35-20-9-3-10-21-35)49(36-22-11-4-12-23-36)38-24-15-29-48-32-38/h1-32H
InChIKeyPARHNHOYLFUCEI-UHFFFAOYSA-N
MW624.79 g/mol
LogP13.01
Rot. Bonds6

About N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine

N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine (PubChem CID 59308571) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
PubChem CID59308571
Molecular FormulaC47H32N2
Molecular Weight624.79 g/mol
Exact Mass624.26
IUPAC NameN-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cccnc5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C47H32N2/c1-5-16-33(17-6-1)42-31-43(34-18-7-2-8-19-34)46-40-26-14-13-25-39(40)44-30-37(27-28-41(44)47(46)45(42)35-20-9-3-10-21-35)49(36-22-11-4-12-23-36)38-24-15-29-48-32-38/h1-32H
InChIKeyPARHNHOYLFUCEI-UHFFFAOYSA-N
XLogP13.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59307875
N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308886
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
CID 59308171
N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308863
N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308877
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
4-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine?
The IUPAC name of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine (CID 59308571) is N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine.
What is the SMILES notation for N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine?
The canonical SMILES for N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cccnc5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine?
The InChIKey is PARHNHOYLFUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-5-16-33(17-6-1)42-31-43(34-18-7-2-8-19-34)46-40-26-14-13-25-39(40)44-30-37(27-28-41(44)47(46)45(42)35-20-9-3-10-21-35)49(36-22-11-4-12-23-36)38-24-15-29-48-32-38/h1-32H.
What are the key properties of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine?
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine has a molecular weight of 624.79 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine is sourced from PubChem (CID 59308571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).