N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine

C48H36N2 — CID 89083810

IUPACN-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine
SMILESCc1cccc(N(C2=CCCC=N2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c1
InChIInChI=1S/C48H36N2/c1-33-16-15-23-37(30-33)50(45-26-13-14-29-49-45)38-27-28-41-44(31-38)39-24-11-12-25-40(39)47-43(35-19-7-3-8-20-35)32-42(34-17-5-2-6-18-34)46(48(41)47)36-21-9-4-10-22-36/h2-12,15-32H,13-14H2,1H3
InChIKeyHCBNHJHYVYUSPD-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.30
Rot. Bonds6

About N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine

N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine (PubChem CID 89083810) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine
PubChem CID89083810
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC NameN-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine
SMILESCc1cccc(N(C2=CCCC=N2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c1
InChIInChI=1S/C48H36N2/c1-33-16-15-23-37(30-33)50(45-26-13-14-29-49-45)38-27-28-41-44(31-38)39-24-11-12-25-40(39)47-43(35-19-7-3-8-20-35)32-42(34-17-5-2-6-18-34)46(48(41)47)36-21-9-4-10-22-36/h2-12,15-32H,13-14H2,1H3
InChIKeyHCBNHJHYVYUSPD-UHFFFAOYSA-N
XLogP13.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.30
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-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308597
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
8-cyclohexa-1,3-dien-1-yl-N-(2-methylphenyl)-N-(3-methylphenyl)-5,6-diphenyltriphenylen-2-amine
CID 89083901
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308060
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
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-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
CID 59308519
1,2,4-triphenyltriphenylene
CID 58820754
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59307875

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine?
The IUPAC name of N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine (CID 89083810) is N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine.
What is the SMILES notation for N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine?
The canonical SMILES for N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine is Cc1cccc(N(C2=CCCC=N2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c1.
What is the InChIKey of N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine?
The InChIKey is HCBNHJHYVYUSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-33-16-15-23-37(30-33)50(45-26-13-14-29-49-45)38-27-28-41-44(31-38)39-24-11-12-25-40(39)47-43(35-19-7-3-8-20-35)32-42(34-17-5-2-6-18-34)46(48(41)47)36-21-9-4-10-22-36/h2-12,15-32H,13-14H2,1H3.
What are the key properties of N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine?
N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine has a molecular weight of 640.83 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 89083810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).