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

C52H36N2 — CID 59308519

IUPACN-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C52H36N2/c1-35-25-28-40(29-26-35)54(49-32-27-38-19-11-14-24-48(38)53-49)41-30-31-44-47(33-41)42-22-12-13-23-43(42)51-46(37-17-7-3-8-18-37)34-45(36-15-5-2-6-16-36)50(52(44)51)39-20-9-4-10-21-39/h2-34H,1H3
InChIKeyUWDDHWYVZZRXGL-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.47
Rot. Bonds6

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

N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine (PubChem CID 59308519) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
PubChem CID59308519
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C52H36N2/c1-35-25-28-40(29-26-35)54(49-32-27-38-19-11-14-24-48(38)53-49)41-30-31-44-47(33-41)42-22-12-13-23-43(42)51-46(37-17-7-3-8-18-37)34-45(36-15-5-2-6-16-36)50(52(44)51)39-20-9-4-10-21-39/h2-34H,1H3
InChIKeyUWDDHWYVZZRXGL-UHFFFAOYSA-N
XLogP14.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.47
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-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
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline
CID 59307663
N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308877
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-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine
CID 58855241
N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308408
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine?
The IUPAC name of N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine (CID 59308519) is N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine is Cc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine?
The InChIKey is UWDDHWYVZZRXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-35-25-28-40(29-26-35)54(49-32-27-38-19-11-14-24-48(38)53-49)41-30-31-44-47(33-41)42-22-12-13-23-43(42)51-46(37-17-7-3-8-18-37)34-45(36-15-5-2-6-16-36)50(52(44)51)39-20-9-4-10-21-39/h2-34H,1H3.
What are the key properties of N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine?
N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine has a molecular weight of 688.87 g/mol, XLogP of 14.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine is sourced from PubChem (CID 59308519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).