4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline

C55H39N — CID 59308621

IUPAC4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
SMILESCc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)c3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4ccccc4c23)cc1
InChIInChI=1S/C55H39N/c1-38-26-28-42(29-27-38)53-50(40-16-6-2-7-17-40)37-51(41-18-8-3-9-19-41)54-49-35-32-43(36-52(49)47-24-14-15-25-48(47)55(53)54)39-30-33-46(34-31-39)56(44-20-10-4-11-21-44)45-22-12-5-13-23-45/h2-37H,1H3
InChIKeyRJOFCLVSTDSJFD-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.59
Rot. Bonds7

About 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline

4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline (PubChem CID 59308621) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
PubChem CID59308621
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
SMILESCc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)c3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4ccccc4c23)cc1
InChIInChI=1S/C55H39N/c1-38-26-28-42(29-27-38)53-50(40-16-6-2-7-17-40)37-51(41-18-8-3-9-19-41)54-49-35-32-43(36-52(49)47-24-14-15-25-48(47)55(53)54)39-30-33-46(34-31-39)56(44-20-10-4-11-21-44)45-22-12-5-13-23-45/h2-37H,1H3
InChIKeyRJOFCLVSTDSJFD-UHFFFAOYSA-N
XLogP15.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
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
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
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-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308060
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
4-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308329
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline (CID 59308621) is 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline is Cc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)c3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4ccccc4c23)cc1.
What is the InChIKey of 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline?
The InChIKey is RJOFCLVSTDSJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-38-26-28-42(29-27-38)53-50(40-16-6-2-7-17-40)37-51(41-18-8-3-9-19-41)54-49-35-32-43(36-52(49)47-24-14-15-25-48(47)55(53)54)39-30-33-46(34-31-39)56(44-20-10-4-11-21-44)45-22-12-5-13-23-45/h2-37H,1H3.
What are the key properties of 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline?
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline has a molecular weight of 713.92 g/mol, XLogP of 15.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 59308621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).