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

C51H34N2 — CID 59308408

IUPACN-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C51H34N2/c1-4-17-36(18-5-1)45-34-46(37-19-6-2-7-20-37)50-43-25-13-12-24-42(43)47-33-41(29-30-44(47)51(50)49(45)38-21-8-3-9-22-38)53(48-26-14-15-31-52-48)40-28-27-35-16-10-11-23-39(35)32-40/h1-34H
InChIKeyOMPXVGOVFFYQNH-UHFFFAOYSA-N
MW674.85 g/mol
LogP14.17
Rot. Bonds6

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

N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (PubChem CID 59308408) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
PubChem CID59308408
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC NameN-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C51H34N2/c1-4-17-36(18-5-1)45-34-46(37-19-6-2-7-20-37)50-43-25-13-12-24-42(43)47-33-41(29-30-44(47)51(50)49(45)38-21-8-3-9-22-38)53(48-26-14-15-31-52-48)40-28-27-35-16-10-11-23-39(35)32-40/h1-34H
InChIKeyOMPXVGOVFFYQNH-UHFFFAOYSA-N
XLogP14.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 514.17
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-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308877
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308863
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
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-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
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-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (CID 59308408) is N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccccn5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The InChIKey is OMPXVGOVFFYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-4-17-36(18-5-1)45-34-46(37-19-6-2-7-20-37)50-43-25-13-12-24-42(43)47-33-41(29-30-44(47)51(50)49(45)38-21-8-3-9-22-38)53(48-26-14-15-31-52-48)40-28-27-35-16-10-11-23-39(35)32-40/h1-34H.
What are the key properties of N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine has a molecular weight of 674.85 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is sourced from PubChem (CID 59308408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).