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

C50H37NO — CID 59308060

IUPACN-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C50H37NO/c1-34-22-24-38(25-23-34)51(39-26-29-41(52-2)30-27-39)40-28-31-44-47(32-40)42-20-12-13-21-43(42)49-46(36-16-8-4-9-17-36)33-45(35-14-6-3-7-15-35)48(50(44)49)37-18-10-5-11-19-37/h3-33H,1-2H3
InChIKeyMENURLBJILUCMS-UHFFFAOYSA-N
MW667.85 g/mol
LogP13.93
Rot. Bonds7

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

N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine (PubChem CID 59308060) has the molecular formula C50H37NO and a molecular weight of 667.85 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
PubChem CID59308060
Molecular FormulaC50H37NO
Molecular Weight667.85 g/mol
Exact Mass667.29
IUPAC NameN-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C50H37NO/c1-34-22-24-38(25-23-34)51(39-26-29-41(52-2)30-27-39)40-28-31-44-47(32-40)42-20-12-13-21-43(42)49-46(36-16-8-4-9-17-36)33-45(35-14-6-3-7-15-35)48(50(44)49)37-18-10-5-11-19-37/h3-33H,1-2H3
InChIKeyMENURLBJILUCMS-UHFFFAOYSA-N
XLogP13.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.85
LogP ≤ 513.93
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

4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzenethiol
CID 89072605
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
CID 59308171
N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine
CID 59307848
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
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687
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-(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-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
CID 59308519

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine (CID 59308060) is N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine is COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
The InChIKey is MENURLBJILUCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NO/c1-34-22-24-38(25-23-34)51(39-26-29-41(52-2)30-27-39)40-28-31-44-47(32-40)42-20-12-13-21-43(42)49-46(36-16-8-4-9-17-36)33-45(35-14-6-3-7-15-35)48(50(44)49)37-18-10-5-11-19-37/h3-33H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine?
N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine has a molecular weight of 667.85 g/mol, XLogP of 13.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59308060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).