N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine

C50H34F3NO — CID 59307848

IUPACN-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine
SMILESCOc1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C50H34F3NO/c1-55-40-28-25-38(26-29-40)54(37-23-21-36(22-24-37)50(51,52)53)39-27-30-43-46(31-39)41-19-11-12-20-42(41)48-45(34-15-7-3-8-16-34)32-44(33-13-5-2-6-14-33)47(49(43)48)35-17-9-4-10-18-35/h2-32H,1H3
InChIKeyHHVZEJFVQCUKNA-UHFFFAOYSA-N
MW721.82 g/mol
LogP14.64
Rot. Bonds7

About N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine

N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine (PubChem CID 59307848) has the molecular formula C50H34F3NO and a molecular weight of 721.82 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine
PubChem CID59307848
Molecular FormulaC50H34F3NO
Molecular Weight721.82 g/mol
Exact Mass721.26
IUPAC NameN-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine
SMILESCOc1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C50H34F3NO/c1-55-40-28-25-38(26-29-40)54(37-23-21-36(22-24-37)50(51,52)53)39-27-30-43-46(31-39)41-19-11-12-20-42(41)48-45(34-15-7-3-8-16-34)32-44(33-13-5-2-6-14-33)47(49(43)48)35-17-9-4-10-18-35/h2-32H,1H3
InChIKeyHHVZEJFVQCUKNA-UHFFFAOYSA-N
XLogP14.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.82
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
CID 59308171
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-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
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-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile
CID 161409372

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine (CID 59307848) is N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine is COc1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine?
The InChIKey is HHVZEJFVQCUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34F3NO/c1-55-40-28-25-38(26-29-40)54(37-23-21-36(22-24-37)50(51,52)53)39-27-30-43-46(31-39)41-19-11-12-20-42(41)48-45(34-15-7-3-8-16-34)32-44(33-13-5-2-6-14-33)47(49(43)48)35-17-9-4-10-18-35/h2-32H,1H3.
What are the key properties of N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine?
N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine has a molecular weight of 721.82 g/mol, XLogP of 14.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 59307848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).